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

Systemtic Name: 2-[[3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butyl]amino]butanedioic acid IUPAC Name: 2-[[3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-3-methyl-butanoyl]amino]succinic acid Formula: C20H27N3O8 MolecularWeight: 437.44368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H27N3O8/c1-11(2)16(18(27)22-14(19(28)29)9-15(24)25)23-17(26)12(3)21-20(30)31-10-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,30)(H,22,27)(H,23,26)(H,24,25)(H,28,29)