(2S)-6-[(2,4-dinitrophenyl)amino]-2-{[(2S)-1-[(2S)-2-[2-(7-methoxy-2-oxochromen-4-yl)acetamido]propanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

CAS: 305336-82-7

Formula: C32H36N6O12

SMILES: COC1=CC=C2C(CC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCNC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)C(O)=O)=CC(=O)OC2=C1

IUPAC: (2S)-6-[(2,4-dinitrophenyl)amino]-2-{[(2S)-1-[(2S)-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

InChI: InChI=1S/C32H36N6O12/c1-18(34-28(39)14-19-15-29(40)50-27-17-21(49-2)9-10-22(19)27)31(42)36-13-5-7-25(36)30(41)35-24(32(43)44)6-3-4-12-33-23-11-8-20(37(45)46)16-26(23)38(47)48/h8-11,15-18,24-25,33H,3-7,12-14H2,1-2H3,(H,34,39)(H,35,41)(H,43,44)/t18-,24-,25-/m0/s1

Composition: C (55.17%), H (5.21%), N (12.06%), O (27.56%)

Molar Mass: 696.67

Atom Count: 86

Heavy Atom Count: 50