methyl (3S)-3-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-oxo-butanoate CAS Name: (3S)-3-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-(3,4-dichloro-2-keto-3-pyrrolin-1-yl)-4-keto-butyric acid methyl ester Formula: C19H20Cl2N2O6 MolecularWeight: 443.2779

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)N2CC(=C(C2=O)Cl)Cl

Isomeric SMILES

COC(=O)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)N2CC(=C(C2=O)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O6/c1-28-15(24)9-14(23-10-12(20)16(21)18(23)26)17(25)22-13(19(27)29-2)8-11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3,(H,22,25)/t13-,14-/m0/s1