2-[carboxy-[2-[1-(phenylmethyl)indol-3-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[1-(phenylmethyl)indol-3-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-(1-benzylindol-3-yl)ethyl-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[1-(phenylmethyl)-3-indolyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-(1-benzylindol-3-yl)ethyl-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[2-(1-benzylindol-3-yl)ethyl-carboxy-amino]-4-methyl-valeric acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H28N2O4/c1-17(2)14-22(23(27)28)26(24(29)30)13-12-19-16-25(15-18-8-4-3-5-9-18)21-11-7-6-10-20(19)21/h3-11,16-17,22H,12-15H2,1-2H3,(H,27,28)(H,29,30)