3-azanyl-2-indolizin-3-yl-3-methyl-5-[[4-(2-methylpropyl)phenyl]amino]-5-oxidanylidene-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 3-azanyl-2-indolizin-3-yl-3-methyl-5-[[4-(2-methylpropyl)phenyl]amino]-5-oxidanylidene-2-(phenylcarbonyl)pentanoic acid Openeye Name: 3-amino-2-benzoyl-2-indolizin-3-yl-5-(4-isobutylanilino)-3-methyl-5-oxo-pentanoic acid CAS Name: 3-amino-2-benzoyl-2-(3-indolizinyl)-3-methyl-5-[4-(2-methylpropyl)anilino]-5-oxopentanoic acid IUPAC Name: 3-amino-2-benzoyl-2-indolizin-3-yl-3-methyl-5-[4-(2-methylpropyl)anilino]-5-oxopentanoic acid Traditional Name: 3-amino-2-benzoyl-2-indolizin-3-yl-5-(4-isobutylanilino)-5-keto-3-methyl-valeric acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)NC(=O)CC(C)(C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)NC(=O)CC(C)(C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C31H33N3O4/c1-21(2)19-22-12-14-24(15-13-22)33-27(35)20-30(3,32)31(29(37)38,28(36)23-9-5-4-6-10-23)26-17-16-25-11-7-8-18-34(25)26/h4-18,21H,19-20,32H2,1-3H3,(H,33,35)(H,37,38)