(2S)-5-oxidanylidene-2-[(phenylmethyl)amino]-5-[(3-thiophen-2-ylphenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-[(phenylmethyl)amino]-5-[(3-thiophen-2-ylphenyl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-(benzylamino)-5-oxo-5-[[3-(2-thienyl)benzoyl]amino]pentanoic acid CAS Name: (2S)-5-oxo-5-[[oxo-(3-thiophen-2-ylphenyl)methyl]amino]-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (2S)-2-(benzylamino)-5-oxo-5-[(3-thiophen-2-ylbenzoyl)amino]pentanoic acid Traditional Name: (2S)-2-(benzylamino)-5-keto-5-[[3-(2-thienyl)benzoyl]amino]valeric acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CCC(=O)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN[C@@H](CCC(=O)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C23H22N2O4S/c26-21(12-11-19(23(28)29)24-15-16-6-2-1-3-7-16)25-22(27)18-9-4-8-17(14-18)20-10-5-13-30-20/h1-10,13-14,19,24H,11-12,15H2,(H,28,29)(H,25,26,27)/t19-/m0/s1