(4S)-4-{[(1S,2S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl](4-nitrophenyl)carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S)-2-acetamido-3-methylbutanamido]butanoic acid

CAS: 189684-54-6

Formula: C28H40N6O11

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N([C@@H](CC(O)=O)C(N)=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (4S)-4-{[(1S,2S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl](4-nitrophenyl)carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S)-2-acetamido-3-methylbutanamido]butanoic acid

InChI: InChI=1S/C28H40N6O11/c1-6-15(4)24(32-26(41)19(11-12-21(36)37)31-27(42)23(14(2)3)30-16(5)35)28(43)33(20(25(29)40)13-22(38)39)17-7-9-18(10-8-17)34(44)45/h7-10,14-15,19-20,23-24H,6,11-13H2,1-5H3,(H2,29,40)(H,30,35)(H,31,42)(H,32,41)(H,36,37)(H,38,39)/t15-,19

Composition: C (52.82%), H (6.33%), N (13.20%), O (27.64%)

Molar Mass: 636.659

Atom Count: 85

Heavy Atom Count: 45