[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O4/c1-3-8(2)17-14(21)18-12(19)7-22-13(20)10-6-9(15)4-5-11(10)16/h4-6,8H,3,7,16H2,1-2H3,(H2,17,18,19,21)/t8-/m0/s1