[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S/c1-15-8-10-18(11-9-15)31(28,29)23-16(2)21(27)30-14-20(26)24(13-12-19(22)25)17-6-4-3-5-7-17/h3-11,16,23H,12-14H2,1-2H3,(H2,22,25)/t16-/m0/s1