2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(isobutylcarbamoylamino)pentanedioic acid CAS Name: 4-hydroxy-2-(1H-indol-3-ylmethyl)-2-[[(2-methylpropylamino)-oxomethyl]amino]pentanedioic acid IUPAC Name: 4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)pentanedioic acid Traditional Name: 4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(isobutylcarbamoylamino)glutaric acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CNC2=CC=CC=C21)(CC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CNC2=CC=CC=C21)(CC(C(=O)O)O)C(=O)O

InChI

InChI=1S/C19H25N3O6/c1-11(2)9-21-18(28)22-19(17(26)27,8-15(23)16(24)25)7-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20,23H,7-9H2,1-2H3,(H,24,25)(H,26,27)(H2,21,22,28)