(2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-bis(oxidanylidene)-1,4-diazacyclotridecane-5-carboxylic acid

Systemtic Name: (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-bis(oxidanylidene)-1,4-diazacyclotridecane-5-carboxylic acid Openeye Name: (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylic acid CAS Name: (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylic acid IUPAC Name: (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylic acid Traditional Name: (2R)-2-(1H-indol-3-ylmethyl)-3,13-diketo-2-methyl-1,4-diazacyclotridecane-5-carboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(CCCCCCCC(=O)N1)C(=O)O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@]1(C(=O)NC(CCCCCCCC(=O)N1)C(=O)O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H29N3O4/c1-22(13-15-14-23-17-10-8-7-9-16(15)17)21(29)24-18(20(27)28)11-5-3-2-4-6-12-19(26)25-22/h7-10,14,18,23H,2-6,11-13H2,1H3,(H,24,29)(H,25,26)(H,27,28)/t18?,22-/m1/s1