[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N)Cl

InChI

InChI=1S/C19H20ClN3O4/c1-12-7-8-15(14(20)9-12)22-17(24)11-27-18(25)16(23-19(21)26)10-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,22,24)(H3,21,23,26)/t16-/m0/s1