methyl (2S)-2-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H14Cl2N2O5 MolecularWeight: 349.16666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O5/c1-22-13(21)10(6-18)17-11(19)5-16-12(20)7-2-3-8(14)9(15)4-7/h2-4,10,18H,5-6H2,1H3,(H,16,20)(H,17,19)/t10-/m0/s1