2-[[3-methyl-2-(phenylcarbonyloxycarbonylamino)butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[3-methyl-2-(phenylcarbonyloxycarbonylamino)butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(benzoyloxycarbonylamino)-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[benzoyloxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-(benzoyloxycarbonylamino)-3-methylbutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(benzoyloxycarbonylamino)-3-methyl-butanoyl]amino]succinic acid Formula: C17H20N2O8 MolecularWeight: 380.3493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H20N2O8/c1-9(2)13(14(22)18-11(15(23)24)8-12(20)21)19-17(26)27-16(25)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,18,22)(H,19,26)(H,20,21)(H,23,24)