(2S,3R)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-(5-methoxy-1-indolyl)-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3-methyl-valerate Formula: C17H21N2O4- MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CN1C=CC2=C1C=CC(=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-4-11(2)16(17(21)22)18-15(20)10-19-8-7-12-9-13(23-3)5-6-14(12)19/h5-9,11,16H,4,10H2,1-3H3,(H,18,20)(H,21,22)/p-1/t11-,16+/m1/s1