trisodium; 5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoate; 5-azanyl-5-oxidanylidene-4-(2-phenylethanoylamino)pentanoate; 2-phenylethanoate

Systemtic Name: trisodium; 5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoate; 5-azanyl-5-oxidanylidene-4-(2-phenylethanoylamino)pentanoate; 2-phenylethanoate Openeye Name: trisodium; 5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate; 5-amino-5-oxo-4-[(2-phenylacetyl)amino]pentanoate; 2-phenylacetate CAS Name: trisodium; 5-amino-5-oxo-2-[(1-oxo-2-phenylethyl)amino]pentanoate; 5-amino-5-oxo-4-[(1-oxo-2-phenylethyl)amino]pentanoate; 2-phenylacetate IUPAC Name: trisodium; 5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate; 5-amino-5-oxo-4-[(2-phenylacetyl)amino]pentanoate; 2-phenylacetate Traditional Name: trisodium; 5-amino-5-keto-2-[(2-phenylacetyl)amino]valerate; 5-amino-5-keto-4-[(2-phenylacetyl)amino]valerate; 2-phenylacetate Formula: C34H37N4Na3O10 MolecularWeight: 730.64769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)[O-])C(=O)N.C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)[O-])C(=O)N.C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-].[Na+].[Na+].[Na+]

InChI

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