methyl 3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-methyl-1-[(4-nitrophenyl)carbamoyl]propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}propanoate

CAS: 70967-90-7

Formula: C27H38N6O9

SMILES: COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: methyl 3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-methyl-1-[(4-nitrophenyl)carbamoyl]propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}propanoate

InChI: InChI=1S/C27H38N6O9/c1-15(2)23(26(38)30-18-8-10-19(11-9-18)33(40)41)31-25(37)20-7-6-14-32(20)27(39)17(4)29-24(36)16(3)28-21(34)12-13-22(35)42-5/h8-11,15-17,20,23H,6-7,12-14H2,1-5H3,(H,28,34)(H,29,36)(H,30,38)(H,31,37)/t16-,17-,20+,23-/m0/s1

Composition: C (54.91%), H (6.49%), N (14.23%), O (24.38%)

Molar Mass: 590.634

Atom Count: 80

Heavy Atom Count: 42