3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[5-(3-methoxy-3-oxo-propyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(3-methoxy-3-oxopropyl)-2-thiophenyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[5-(3-methoxy-3-oxopropyl)thiophene-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[5-(3-keto-3-methoxy-propyl)thiophene-2-carbonyl]amino]propionic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(S1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=CC=C(S1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7S/c1-28-17(23)10-8-14-7-9-16(30-14)18(24)21-11-15(19(25)26)22-20(27)29-12-13-5-3-2-4-6-13/h2-7,9,15H,8,10-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)