2-(2-azanylpropanoyl)-1-(1-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-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-carboxy-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid Traditional Name: 2-alanyl-1-(1-carboxy-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(CC2CCC=CC2N1C(CCC3=CC=CC=C3)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(CC2CCC=CC2N1C(CCC3=CC=CC=C3)C(=O)O)C(=O)O)N

InChI

InChI=1S/C22H28N2O5/c1-14(23)19(25)22(21(28)29)13-16-9-5-6-10-17(16)24(22)18(20(26)27)12-11-15-7-3-2-4-8-15/h2-4,6-8,10,14,16-18H,5,9,11-13,23H2,1H3,(H,26,27)(H,28,29)