(2S)-5-oxidanylidene-2-[(phenylmethyl)amino]-5-[(5-thiophen-2-ylfuran-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-[(phenylmethyl)amino]-5-[(5-thiophen-2-ylfuran-2-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-(benzylamino)-5-oxo-5-[[5-(2-thienyl)furan-2-carbonyl]amino]pentanoic acid CAS Name: (2S)-5-oxo-5-[[oxo-(5-thiophen-2-yl-2-furanyl)methyl]amino]-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (2S)-2-(benzylamino)-5-oxo-5-[(5-thiophen-2-ylfuran-2-carbonyl)amino]pentanoic acid Traditional Name: (2S)-2-(benzylamino)-5-keto-5-[[5-(2-thienyl)-2-furoyl]amino]valeric acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CCC(=O)NC(=O)C2=CC=C(O2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN[C@@H](CCC(=O)NC(=O)C2=CC=C(O2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c24-19(11-8-15(21(26)27)22-13-14-5-2-1-3-6-14)23-20(25)17-10-9-16(28-17)18-7-4-12-29-18/h1-7,9-10,12,15,22H,8,11,13H2,(H,26,27)(H,23,24,25)/t15-/m0/s1