3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[4-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(3-keto-3-methoxy-propyl)benzoyl]amino]propionic acid Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O7/c1-30-19(25)12-9-15-7-10-17(11-8-15)20(26)23-13-18(21(27)28)24-22(29)31-14-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)