(2S,3R)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methyl-valeric acid Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2O3/c1-3-10(2)15(16(21)22)18-14(20)9-19-7-6-11-4-5-12(17)8-13(11)19/h4-8,10,15H,3,9H2,1-2H3,(H,18,20)(H,21,22)/t10-,15+/m1/s1