[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)[C@H](CC(=O)N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H24ClN3O5/c23-17-10-8-16(9-11-17)21(29)26-18(13-19(24)27)22(30)31-14-20(28)25-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,24,27)(H,25,28)(H,26,29)/t18-/m0/s1