2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(4-methylpiperidin-2-yl)amino]butanedioic acid

Systemtic Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(4-methylpiperidin-2-yl)amino]butanedioic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-(4-methyl-2-piperidyl)amino]butanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-(4-methyl-2-piperidinyl)amino]butanedioic acid IUPAC Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(4-methylpiperidin-2-yl)amino]butanedioic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-(4-methyl-2-piperidyl)amino]succinic acid Formula: C23H33N3O7 MolecularWeight: 463.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)N(C(CC(=O)O)C(=O)O)C(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1CCNC(C1)N(C(CC(=O)O)C(=O)O)C(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H33N3O7/c1-14(2)20(25-23(32)33-13-16-7-5-4-6-8-16)21(29)26(17(22(30)31)12-19(27)28)18-11-15(3)9-10-24-18/h4-8,14-15,17-18,20,24H,9-13H2,1-3H3,(H,25,32)(H,27,28)(H,30,31)