2-(3-bromanyl-4-oxidanyl-phenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]ethanoic acid

Systemtic Name: 2-(3-bromanyl-4-oxidanyl-phenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]ethanoic acid Openeye Name: 2-(3-bromo-4-hydroxy-phenyl)-2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]carbamoylamino]acetic acid CAS Name: 2-(3-bromo-4-hydroxyphenyl)-2-[[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]acetic acid Traditional Name: 2-(3-bromo-4-hydroxy-phenyl)-2-[[(1S)-1-carbomethoxy-3-methyl-butyl]carbamoylamino]acetic acid Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NC(C1=CC(=C(C=C1)O)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1