(2S)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(5-methoxy-1-indolyl)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-methyl-valeric acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-11(2)8-14(17(21)22)18-16(20)10-19-7-6-12-9-13(23-3)4-5-15(12)19/h4-7,9,11,14H,8,10H2,1-3H3,(H,18,20)(H,21,22)/t14-/m0/s1