1-[6-azanyl-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]hexanoyl]proline Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C22H30N4O5/c23-10-4-3-8-17(20(27)26-11-5-9-19(26)22(30)31)25-18(21(28)29)12-14-13-24-16-7-2-1-6-15(14)16/h1-2,6-7,13,17-19,24-25H,3-5,8-12,23H2,(H,28,29)(H,30,31)