(4S)-4-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-5-[(2S)-2-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

CAS: 252557-97-4

Formula: C34H44N4O9

SMILES: CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

IUPAC: (4S)-4-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-5-[(2S)-2-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

InChI: InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-

Composition: C (62.56%), H (6.79%), N (8.58%), O (22.06%)

Molar Mass: 652.745

Atom Count: 91

Heavy Atom Count: 47