(2S)-2-azanyl-4-(2-azanyl-5-chloranyl-4-ethylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-(2-azanyl-5-chloranyl-4-ethylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-(2-amino-5-chloro-4-ethylsulfonyl-phenyl)-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-(2-amino-5-chloro-4-ethylsulfonylphenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-(2-amino-5-chloro-4-ethylsulfonylphenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-(2-amino-5-chloro-4-esyl-phenyl)-4-keto-butyric acid Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C(=C1)N)C(=O)CC(C(=O)O)N)Cl

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C(=C1)N)C(=O)C[C@@H](C(=O)O)N)Cl

InChI

InChI=1S/C12H15ClN2O5S/c1-2-21(19,20)11-5-8(14)6(3-7(11)13)10(16)4-9(15)12(17)18/h3,5,9H,2,4,14-15H2,1H3,(H,17,18)/t9-/m0/s1