2-[(4-methoxyphenyl)-[2-oxidanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)-[2-oxidanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoic acid Openeye Name: 2-(N-[6-(benzyloxycarbonylamino)-2-hydroxy-hexanoyl]-4-methoxy-anilino)acetic acid CAS Name: 2-(N-[2-hydroxy-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-4-methoxyanilino)acetic acid IUPAC Name: 2-(N-[2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoyl]-4-methoxyanilino)acetic acid Traditional Name: 2-(N-[6-(benzyloxycarbonylamino)-2-hydroxy-hexanoyl]-4-methoxy-anilino)acetic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C23H28N2O7/c1-31-19-12-10-18(11-13-19)25(15-21(27)28)22(29)20(26)9-5-6-14-24-23(30)32-16-17-7-3-2-4-8-17/h2-4,7-8,10-13,20,26H,5-6,9,14-16H2,1H3,(H,24,30)(H,27,28)