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

Systemtic Name: 3-[[5-(3-ethoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[5-(3-ethoxy-3-oxo-propyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(3-ethoxy-3-oxopropyl)-2-thiophenyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[5-(3-ethoxy-3-oxopropyl)thiophene-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[5-(3-ethoxy-3-keto-propyl)thiophene-2-carbonyl]amino]propionic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-2-29-18(24)11-9-15-8-10-17(31-15)19(25)22-12-16(20(26)27)23-21(28)30-13-14-6-4-3-5-7-14/h3-8,10,16H,2,9,11-13H2,1H3,(H,22,25)(H,23,28)(H,26,27)