ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-(1-benzyl-2-benzyloxy-2-oxo-ethyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[(2-benzoxy-1-benzyl-2-keto-ethyl)-phenylalanyl-carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C31H33N3O6/c1-2-39-31(38)27-26(33-27)29(36)34(28(35)24(32)18-21-12-6-3-7-13-21)25(19-22-14-8-4-9-15-22)30(37)40-20-23-16-10-5-11-17-23/h3-17,24-27,33H,2,18-20,32H2,1H3