1-[2,6-bis(azanyl)hexanoyl]-2-[4-(1H-indol-3-yl)-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-[4-(1H-indol-3-yl)-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-[1-carboxy-3-(1H-indol-3-yl)-3-oxo-propyl]-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-[1-hydroxy-4-(1H-indol-3-yl)-1,4-dioxobutan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-[1-hydroxy-4-(1H-indol-3-yl)-1,4-dioxobutan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-[1-carboxy-3-(1H-indol-3-yl)-3-keto-propyl]-1-(2,6-diaminohexanoyl)proline Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C23H30N4O6/c24-10-4-3-7-17(25)20(29)27-11-5-9-23(27,22(32)33)16(21(30)31)12-19(28)15-13-26-18-8-2-1-6-14(15)18/h1-2,6,8,13,16-17,26H,3-5,7,9-12,24-25H2,(H,30,31)(H,32,33)