2-(2-azanylpropanoyl)-1-(1-ethoxy-4-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-(1-ethoxy-4-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-(1-ethoxycarbonyl-3-hydroxy-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-(1-ethoxy-4-hydroxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1-ethoxy-4-hydroxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid Traditional Name: 2-alanyl-1-(1-carbethoxy-3-hydroxy-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C1=CC=CC=C1)O)N2C3C=CCCC3CC2(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC(C1=CC=CC=C1)O)N2C3C=CCCC3CC2(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C24H32N2O6/c1-3-32-22(29)19(13-20(27)16-9-5-4-6-10-16)26-18-12-8-7-11-17(18)14-24(26,23(30)31)21(28)15(2)25/h4-6,8-10,12,15,17-20,27H,3,7,11,13-14,25H2,1-2H3,(H,30,31)