• ChemBase ID: 133666
• Molecular Formular: C154H255N47O43S
• Molecular Mass: 3485.0266
• Monoisotopic Mass: 3482.89326106
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)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)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](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C
• Canonical SMILES: NCCCC[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)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)CCCNC(=N)N)CO)CCSC)[C@H](CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)CCCCN)CCCNC(=N)N)C)CO)CC(C)C)CCC(=O)N)CC(C)C)C(C)C)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)NC(=O)C)CCCNC(=N)N)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCNC(=N)N
• InChI: InChI=1S/C154H255N47O43S/c1-20-80(13)120(199-125(219)83(16)174-135(229)108(69-117(213)214)190-130(224)96(40-32-59-172-154(167)168)182-139(233)104(176-85(18)206)66-87-41-45-89(207)46-42-87)149(243)193-106(65-86-33-23-22-24-34-86)142(236)201-122(84(17)205)150(244)194-107(68-115(159)211)141(235)197-112(74-204)146(240)189-105(67-88-43-47-90(208)48-44-88)140(234)183-95(39-31-58-171-153(165)166)128(222)181-93(36-26-28-55-156)134(228)198-119(79(11)12)147(241)192-100(61-75(3)4)126(220)173-71-116(212)177-97(49-51-113(157)209)131(225)187-103(64-78(9)10)138(232)196-110(72-202)144(238)175-82(15)124(218)179-94(38-30-57-170-152(163)164)127(221)180-92(35-25-27-54-155)129(223)186-102(63-77(7)8)137(231)188-101(62-76(5)6)136(230)184-98(50-52-114(158)210)132(226)191-109(70-118(215)216)143(237)200-121(81(14)21-2)148(242)185-99(53-60-245-19)133(227)195-111(73-203)145(239)178-91(123(160)217)37-29-56-169-151(161)162/h22-24,33-34,41-48,75-84,91-112,119-122,202-205,207-208H,20-21,25-32,35-40,49-74,155-156H2,1-19H3,(H2,157,209)(H2,158,210)(H2,159,211)(H2,160,217)(H,173,220)(H,174,229)(H,175,238)(H,176,206)(H,177,212)(H,178,239)(H,179,218)(H,180,221)(H,181,222)(H,182,233)(H,183,234)(H,184,230)(H,185,242)(H,186,223)(H,187,225)(H,188,231)(H,189,240)(H,190,224)(H,191,226)(H,192,241)(H,193,243)(H,194,244)(H,195,227)(H,196,232)(H,197,235)(H,198,228)(H,199,219)(H,200,237)(H,201,236)(H,213,214)(H,215,216)(H4,161,162,169)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t80-,81-,82-,83-,84+,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1
• InChIKey: JIFMAFJPNLVLAC-UBKPBUPGSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: [N-Acetyl-Tyr1, D-Arg2]-Growth Hormone Releasing Factor Fragment 1-29 amide human

Database IDs

• CAS Number: 93942-95-1
• MDL Number: MFCD00079960
• PubChem SID: 162227943
• PubChem CID: 71308697

CALCULATED PROPERTIES

• Acid pKa: 3.3085995
• H Acceptors: 57
• H Donor: 55
• LogD (pH = 5.5): -30.482956
• LogD (pH = 7.4): -29.621426
• Log P: -20.029615
• Molar Refractivity: 921.4621 cm^3
• Polarizability: 343.91684 Å^3
• Polar Surface Area: 1511.88 Å^2
• Rotatable Bonds: 120
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... GHRH(2691)

Product Information

• Purity: ≥97% (HPLC)

DETAILS

Sigma Aldrich - G3644

Amino Acid Sequence
Ac-Tyr-Arg-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-NH2
Biochem/physiol Actions
GRF antagonist on membranes.