5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoic acid; 2-phenylethanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoic acid; 2-phenylethanoic acid Openeye Name: 5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid; 2-phenylacetic acid CAS Name: 5-amino-5-oxo-2-[(1-oxo-2-phenylethyl)amino]pentanoic acid; 2-phenylacetic acid IUPAC Name: 5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid; 2-phenylacetic acid Traditional Name: 5-amino-5-keto-2-[(2-phenylacetyl)amino]valeric acid; 2-phenylacetic acid Formula: C45H48N2O12 MolecularWeight: 808.86882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C13H16N2O4.4C8H8O2/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9;4*9-8(10)6-7-4-2-1-3-5-7/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19);4*1-5H,6H2,(H,9,10)