4-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-14(2)18(23-21(27)28-13-16-6-4-3-5-7-16)19(24)22-12-15-8-10-17(11-9-15)20(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)