sodium (4S)-4-[[4-(methylamino)phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium (4S)-4-[[4-(methylamino)phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium (4S)-5-hydroxy-4-[[4-(methylamino)benzoyl]amino]-5-oxo-pentanoate CAS Name: sodium (4S)-5-hydroxy-4-[[[4-(methylamino)phenyl]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: sodium (4S)-5-hydroxy-4-[[4-(methylamino)benzoyl]amino]-5-oxopentanoate Traditional Name: sodium (4S)-5-hydroxy-5-keto-4-[[4-(methylamino)benzoyl]amino]valerate Formula: C13H15N2NaO5 MolecularWeight: 302.25837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C(=O)NC(CCC(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C13H16N2O5.Na/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17;/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1/t10-;/m0./s1