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162105833 molecular structure
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ChemBase ID: 103998
Molecular Formular: C138H220N36O50
Molecular Mass: 3183.4346
Monoisotopic Mass: 3181.57790222
SMILES and InChIs

SMILES:
CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O
Canonical SMILES:
OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(C)C)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CCC(=O)N)CC(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C
InChI:
InChI=1S/C138H220N36O50/c1-63(2)46-85(165-122(207)82(35-43-110(195)196)161-136(221)113(70(15)16)172-123(208)78(28-36-96(140)178)154-103(185)59-150-135(220)112(69(13)14)171-124(209)79(29-37-97(141)179)160-127(212)88(49-66(7)8)166-130(215)91(53-111(197)198)169-121(206)81(34-42-109(193)194)157-115(200)72(18)152-120(205)80(33-41-108(191)192)158-117(202)76(139)52-74-24-26-75(177)27-25-74)119(204)147-55-101(183)144-54-100(182)145-60-106(188)173-44-20-22-94(173)133(218)149-56-102(184)151-71(17)114(199)146-57-104(186)155-92(61-175)131(216)167-89(50-67(9)10)128(213)162-83(30-38-98(142)180)137(222)174-45-21-23-95(174)134(219)170-86(47-64(3)4)125(210)153-73(19)116(201)164-87(48-65(5)6)126(211)159-77(32-40-107(189)190)118(203)148-58-105(187)156-93(62-176)132(217)168-90(51-68(11)12)129(214)163-84(138(223)224)31-39-99(143)181/h24-27,63-73,76-95,112-113,175-177H,20-23,28-62,139H2,1-19H3,(H2,140,178)(H2,141,179)(H2,142,180)(H2,143,181)(H,144,183)(H,145,182)(H,146,199)(H,147,204)(H,148,203)(H,149,218)(H,150,220)(H,151,184)(H,152,205)(H,153,210)(H,154,185)(H,155,186)(H,156,187)(H,157,200)(H,158,202)(H,159,211)(H,160,212)(H,161,221)(H,162,213)(H,163,214)(H,164,201)(H,165,207)(H,166,215)(H,167,216)(H,168,217)(H,169,206)(H,170,219)(H,171,209)(H,172,208)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,223,224)
InChIKey:
AKQDHADEEKZZBX-UHFFFAOYSA-N

Cite this record

CBID:103998 http://www.chembase.cn/molecule-103998.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
Synonyms
C-PEPTIDE
PubChem SID
162105833
PubChem CID
44134638

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02153909 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134638 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.8523946  H Acceptors 51 
H Donor 43  LogD (pH = 5.5) -29.459171 
LogD (pH = 7.4) -37.56256  Log P -21.389597 
Molar Refractivity 770.0051 cm3 Polarizability 302.54102 Å3
Polar Surface Area 1367.39 Å2 Rotatable Bonds 105 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C expand Show data source
MSDS Link
Download expand Show data source
Purity
>98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02153909 external link
(Tyr)-Glu-Ala-Glu-Asp-Leu-Gln-Val-Gly-Gln-Val-Glu-Leu-Gly-Gly-Gly-Pro-Gly-Ala-Gly-Ser-Leu-Gln-Pro-Leu-Ala-Leu-Glu-Gly-Ser-Leu-Gln Synthetic Lyophilized Purity: >98% Proinsulin Contamination: 1%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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