Semax

C₃₇H₅₁N₉O₁₀SCAS 80714-61-0813.93 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₃₇H₅₁N₉O₁₀S
Molar mass: 813.93 g/mol
Exact mass: 813.3480 Da
logP: -1.22Crippen estimate
Polar surface area: 286.3 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 21
Stereocentres: S, S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

80714-61-0

SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)O)N

InChIKey

AFEHBIGDWIGTEH-AQRCPPRCSA-N

InChI

InChI=1S/C37H51N9O10S/c1-57-16-13-24(38)32(50)42-25(11-12-31(48)49)33(51)43-26(18-23-19-39-21-41-23)34(52)44-27(17-22-7-3-2-4-8-22)36(54)46-15-5-9-28(46)35(53)40-20-30(47)45-14-6-10-29(45)37(55)56/h2-4,7-8,19,21,24-29H,5-6,9-18,20,38H2,1H3,(H,39,41)(H,40,53)(H,42,50)(H,43,51)(H,44,52)(H,48,49)(H,55,56)/t24-,25-,26-,27-,28-,29-/m0/s1

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Names and synonyms

1 names

ACTH (4-7), pro-gly-pro-

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Elsewhere

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