methyl (2S)-2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(6-bromo-3-nitro-1-indolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(6-bromo-3-nitroindol-1-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H21BrN4O6 MolecularWeight: 469.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CNC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN4O6/c1-10(2)17(18(26)29-3)21-15(24)7-20-16(25)9-22-8-14(23(27)28)12-5-4-11(19)6-13(12)22/h4-6,8,10,17H,7,9H2,1-3H3,(H,20,25)(H,21,24)/t17-/m0/s1