4-azanyl-2-tert-butyl-3-[[[3-(1-methylindol-3-yl)-2-oxidanyl-propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-2-tert-butyl-3-[[[3-(1-methylindol-3-yl)-2-oxidanyl-propanoyl]amino]methyl]benzoic acid Openeye Name: 4-amino-2-tert-butyl-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid CAS Name: 4-amino-2-tert-butyl-3-[[[2-hydroxy-3-(1-methyl-3-indolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-amino-2-tert-butyl-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid Traditional Name: 4-amino-2-tert-butyl-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1CNC(=O)C(CC2=CN(C3=CC=CC=C32)C)O)N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1CNC(=O)C(CC2=CN(C3=CC=CC=C32)C)O)N)C(=O)O

InChI

InChI=1S/C24H29N3O4/c1-24(2,3)21-16(23(30)31)9-10-18(25)17(21)12-26-22(29)20(28)11-14-13-27(4)19-8-6-5-7-15(14)19/h5-10,13,20,28H,11-12,25H2,1-4H3,(H,26,29)(H,30,31)