(2S)-5-azanyl-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(3-chloro-4-hydroxy-benzoyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(3-chloro-4-hydroxybenzoyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(3-chloro-4-hydroxy-benzoyl)amino]-5-keto-valerate Formula: C12H12ClN2O5- MolecularWeight: 299.68708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CCC(=O)N)C(=O)[O-])Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[C@@H](CCC(=O)N)C(=O)[O-])Cl)O

InChI

InChI=1S/C12H13ClN2O5/c13-7-5-6(1-3-9(7)16)11(18)15-8(12(19)20)2-4-10(14)17/h1,3,5,8,16H,2,4H2,(H2,14,17)(H,15,18)(H,19,20)/p-1/t8-/m0/s1