(2S,3R)-2-(2-indol-1-ylethanoylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-(2-indol-1-ylethanoylamino)-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[(2-indol-1-ylacetyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[2-(1-indolyl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[(2-indol-1-ylacetyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[(2-indol-1-ylacetyl)amino]-3-methyl-valeric acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C16H20N2O3/c1-3-11(2)15(16(20)21)17-14(19)10-18-9-8-12-6-4-5-7-13(12)18/h4-9,11,15H,3,10H2,1-2H3,(H,17,19)(H,20,21)/t11-,15+/m1/s1