ethyl (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[(2-chlorophenyl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[(2-chlorophenyl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[(2-chlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2-chlorophenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[(2-chlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[(2-chlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C27H32Cl3N3O4 MolecularWeight: 568.91968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C(CC2=CC(=CC=C2)N(CCCl)CCCl)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC(=CC=C2)N(CCCl)CCCl)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C27H32Cl3N3O4/c1-2-37-27(36)24-11-6-14-33(24)26(35)23(31-25(34)21-9-3-4-10-22(21)30)18-19-7-5-8-20(17-19)32(15-12-28)16-13-29/h3-5,7-10,17,23-24H,2,6,11-16,18H2,1H3,(H,31,34)/t23-,24+/m1/s1