(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(2-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

CAS: 122063-01-8

Formula: C35H56N8O10S

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O

IUPAC: (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(2-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

InChI: InChI=1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-31(49)22(36)17-28(46)47/h6-10,19-20,22-26,29,44H,11-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,

Composition: C (53.83%), H (7.23%), N (14.35%), O (20.49%), S (4.11%)

Molar Mass: 780.94

Atom Count: 110

Heavy Atom Count: 54