(2S)-2-[2-(4-chloranylindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(4-chloranylindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(4-chloro-1-indolyl)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-methyl-valeric acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

InChI

InChI=1S/C16H19ClN2O3/c1-10(2)8-13(16(21)22)18-15(20)9-19-7-6-11-12(17)4-3-5-14(11)19/h3-7,10,13H,8-9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1