(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl](4-nitrophenyl)carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid

CAS: 189950-66-1

Formula: C26H34N6O13

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

IUPAC: (4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl](4-nitrophenyl)carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid

InChI: InChI=1S/C26H34N6O13/c1-12(2)22(25(41)31(18(26(42)43)11-19(27)34)14-4-6-15(7-5-14)32(44)45)30-23(39)16(8-9-20(35)36)29-24(40)17(10-21(37)38)28-13(3)33/h4-7,12,16-18,22H,8-11H2,1-3H3,(H2,27,34)(H,28,33)(H,29,40)(H,30,39)(H,35,36)(H,37,38)(H,42,43)/t16-,17-

Composition: C (48.90%), H (5.37%), N (13.16%), O (32.57%)

Molar Mass: 638.587

Atom Count: 79

Heavy Atom Count: 45