methyl (2S)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C14H17BrN2O5 MolecularWeight: 373.19918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H17BrN2O5/c1-22-14(21)11(8-18)17-12(19)6-7-16-13(20)9-2-4-10(15)5-3-9/h2-5,11,18H,6-8H2,1H3,(H,16,20)(H,17,19)/t11-/m0/s1