2-[[4-(methylamino)phenyl]carbonylamino]-7-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: 2-[[4-(methylamino)phenyl]carbonylamino]-7-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: 7-(benzyloxycarbonylamino)-2-[[4-(methylamino)benzoyl]amino]heptanoic acid CAS Name: 2-[[[4-(methylamino)phenyl]-oxomethyl]amino]-7-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: 2-[[4-(methylamino)benzoyl]amino]-7-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 7-(benzyloxycarbonylamino)-2-[[4-(methylamino)benzoyl]amino]enanthic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C(=O)NC(CCCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CNC1=CC=C(C=C1)C(=O)NC(CCCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H29N3O5/c1-24-19-13-11-18(12-14-19)21(27)26-20(22(28)29)10-6-3-7-15-25-23(30)31-16-17-8-4-2-5-9-17/h2,4-5,8-9,11-14,20,24H,3,6-7,10,15-16H2,1H3,(H,25,30)(H,26,27)(H,28,29)