methyl (2R,3S)-3-[(5-bromanyl-1H-indol-2-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: methyl (2R,3S)-3-[(5-bromanyl-1H-indol-2-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoate Openeye Name: methyl (2R,3S)-3-[(5-bromo-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butanoate CAS Name: (2R,3S)-3-[[(5-bromo-1H-indol-2-yl)-oxomethyl]amino]-2-hydroxy-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(5-bromo-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate Traditional Name: (2R,3S)-3-[(5-bromo-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butyric acid methyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br)O

Isomeric SMILES

COC(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br)O

InChI

InChI=1S/C20H19BrN2O4/c1-27-20(26)18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(21)7-8-15(13)22-17/h2-8,10-11,16,18,22,24H,9H2,1H3,(H,23,25)/t16-,18+/m0/s1