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

CAS: 97559-35-8

Formula: C34H54N8O10S

SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O

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

InChI: InChI=1/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(

Composition: C (53.25%), H (7.10%), N (14.61%), O (20.86%), S (4.18%)

Molar Mass: 766.91

Atom Count: 107

Heavy Atom Count: 53