2-(cyclopentylamino)-3-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid

Systemtic Name: 2-(cyclopentylamino)-3-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-(cyclopentylamino)-3-oxo-heptanedioic acid CAS Name: 2-(cyclopentylamino)-3-oxo-6-(phenylmethoxycarbonylamino)heptanedioic acid IUPAC Name: 2-(cyclopentylamino)-3-oxo-6-(phenylmethoxycarbonylamino)heptanedioic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-(cyclopentylamino)-3-keto-pimelic acid Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(C1)NC(C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H26N2O7/c23-16(17(19(26)27)21-14-8-4-5-9-14)11-10-15(18(24)25)22-20(28)29-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17,21H,4-5,8-12H2,(H,22,28)(H,24,25)(H,26,27)