(2R)-2-(2-azanylethylamino)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(2-azanylethylamino)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(2-aminoethylamino)-4-(3-chloro-4-methoxy-anilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(2-aminoethylamino)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(2-aminoethylamino)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(2-aminoethylamino)-4-(3-chloro-4-methoxy-anilino)-4-keto-butyric acid Formula: C13H18ClN3O4 MolecularWeight: 315.75272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCN)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)O)NCCN)Cl

InChI

InChI=1S/C13H18ClN3O4/c1-21-11-3-2-8(6-9(11)14)17-12(18)7-10(13(19)20)16-5-4-15/h2-3,6,10,16H,4-5,7,15H2,1H3,(H,17,18)(H,19,20)/t10-/m1/s1