(3S)-4-(2-chloranylethanoylamino)-3-phenyl-butanoate

Systemtic Name: (3S)-4-(2-chloranylethanoylamino)-3-phenyl-butanoate Openeye Name: (3S)-4-[(2-chloroacetyl)amino]-3-phenyl-butanoate CAS Name: (3S)-4-[(2-chloro-1-oxoethyl)amino]-3-phenylbutanoate IUPAC Name: (3S)-4-[(2-chloroacetyl)amino]-3-phenylbutanoate Traditional Name: (3S)-4-[(2-chloroacetyl)amino]-3-phenyl-butyrate Formula: C12H13ClNO3- MolecularWeight: 254.68952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CNC(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CNC(=O)CCl

InChI

InChI=1S/C12H14ClNO3/c13-7-11(15)14-8-10(6-12(16)17)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)/p-1/t10-/m1/s1