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83930-13-6 molecular structure
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ChemBase ID: 102995
Molecular Formular: C215H358N72O66S
Molecular Mass: 5039.65082
Monoisotopic Mass: 5036.65912574
SMILES and InChIs

SMILES:
N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)C)C)CCSC)[C@@H](C)CC)CC(=O)O)C)Cc1ccc(O)cc1)Cc1ccccc1)[C@@H](C)CC)C)CC(=O)O)C)Cc1ccc(O)cc1
Canonical SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)C)CCCNC(=N)N)C)CCCNC(=N)N)CCC(=O)O)CCC(=O)N)CC(=O)N)CO)CCC(=O)O)CCC(=O)N)CCC(=O)N)CCCNC(=N)N)CO)CCSC)[C@H](CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)CC(C)C)CCC(=O)N)CC(C)C)CO)C)CCCNC(=N)N
InChI:
InChI=1S/C215H358N72O66S/c1-24-106(15)166(285-174(318)112(21)251-193(337)145(91-163(309)310)270-173(317)109(18)249-175(319)119(218)86-115-49-53-117(293)54-50-115)208(352)278-142(87-114-39-27-26-28-40-114)200(344)287-168(113(22)292)209(353)279-144(90-157(225)301)199(343)283-150(99-291)204(348)274-141(88-116-51-55-118(294)56-52-116)197(341)261-126(47-37-78-243-214(235)236)181(325)260-122(42-30-32-73-217)192(336)284-165(105(13)14)206(350)277-137(82-101(5)6)178(322)247-95-160(304)253-129(58-65-152(220)296)185(329)272-140(85-104(11)12)196(340)282-147(96-288)202(346)252-111(20)172(316)256-124(45-35-76-241-212(231)232)180(324)259-121(41-29-31-72-216)184(328)271-139(84-103(9)10)195(339)273-138(83-102(7)8)194(338)266-133(61-68-155(223)299)190(334)276-146(92-164(311)312)201(345)286-167(107(16)25-2)207(351)268-135(71-80-354-23)191(335)281-148(97-289)203(347)262-127(48-38-79-244-215(237)238)182(326)264-131(59-66-153(221)297)187(331)263-128(57-64-151(219)295)177(321)246-94-159(303)254-130(62-69-161(305)306)186(330)280-149(98-290)205(349)275-143(89-156(224)300)198(342)267-132(60-67-154(222)298)188(332)265-134(63-70-162(307)308)189(333)258-120(43-33-74-239-210(227)228)176(320)245-93-158(302)248-108(17)170(314)255-123(44-34-75-240-211(229)230)179(323)250-110(19)171(315)257-125(46-36-77-242-213(233)234)183(327)269-136(169(226)313)81-100(3)4/h26-28,39-40,49-56,100-113,119-150,165-168,288-294H,24-25,29-38,41-48,57-99,216-218H2,1-23H3,(H2,219,295)(H2,220,296)(H2,221,297)(H2,222,298)(H2,223,299)(H2,224,300)(H2,225,301)(H2,226,313)(H,245,320)(H,246,321)(H,247,322)(H,248,302)(H,249,319)(H,250,323)(H,251,337)(H,252,346)(H,253,304)(H,254,303)(H,255,314)(H,256,316)(H,257,315)(H,258,333)(H,259,324)(H,260,325)(H,261,341)(H,262,347)(H,263,331)(H,264,326)(H,265,332)(H,266,338)(H,267,342)(H,268,351)(H,269,327)(H,270,317)(H,271,328)(H,272,329)(H,273,339)(H,274,348)(H,275,349)(H,276,334)(H,277,350)(H,278,352)(H,279,353)(H,280,330)(H,281,335)(H,282,340)(H,283,343)(H,284,336)(H,285,318)(H,286,345)(H,287,344)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H4,227,228,239)(H4,229,230,240)(H4,231,232,241)(H4,233,234,242)(H4,235,236,243)(H4,237,238,244)/t106-,107-,108-,109-,110-,111-,112-,113+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,165-,166-,167-,168-/m0/s1
InChIKey:
JAHCMOSSKRAPEL-IBFVROBCSA-N

Cite this record

CBID:102995 http://www.chembase.cn/molecule-102995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
Synonyms
hGRF 1-44 [Amide]
GROWTH HORMONE RELEASING FACTOR
Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg-Gln-Gln-Gly-Glu-Ser-Asn-Gln-Glu-Arg-Gly-Ala-Arg-Ala-Arg-Leu-NH2
CAS Number
83930-13-6
PubChem SID
162089365
PubChem CID
16132353

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02150219 external link Add to cart Please log in.
Data Source Data ID
PubChem 16132353 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.212242  H Acceptors 87 
H Donor 83  LogD (pH = 5.5) -45.516796 
LogD (pH = 7.4) -45.48929  Log P -36.403038 
Molar Refractivity 1311.8365 cm3 Polarizability 488.2472 Å3
Polar Surface Area 2336.29 Å2 Rotatable Bonds 177 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02150219 external link
Source/Species: Human

REFERENCES

REFERENCES

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PATENTS

PATENTS

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