6XTA-cpd18

Type : Derivative of Tryptophan,Indole,Azepane

Chemical_Nomenclature : (2S)-N-(2-(1-Benzylazepan-4-yl)ethyl)-2-(butylamino)-3-(1H-indol-3-yl)propanamide || (2S)-N-[2-[(4R)-1-benzylazepan-4-yl]ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide

Canonical SMILES : C(NC(=O)[C@@H](NCCCC)CC1=C[N]C2=CC=CC=C12)CC3CCN(CCC3)CC4=CC=CC=C4 || CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3CCCN(CC3)CC4=CC=CC=C4

InChI : InChI=1S\/C30H42N4O\/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25\/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)\/t24?,29-\/m0\/s1 || InChI=1S\/C30H42N4O\/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25\/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)\/t24-,29+\/m1\/s1

InChIKey : GZBQVFPQSQFJCG-PEFOLFAWSA-N || GZBQVFPQSQFJCG-GIGWZHCTSA-N

Other name(s) : O0Z

MW : 474.68

Formula : C30H42N4O

CAS_number :

PubChem : 154815643

UniChem : GZBQVFPQSQFJCG-PEFOLFAWSA-N || GZBQVFPQSQFJCG-GIGWZHCTSA-N

IUPHAR :

Wikipedia :

Families : 6XTA-cpd18 ligand of proteins in family: BCHE

Stucture : 6XTA Human Butyrylcholinesterase in complex with compound 18

Protein : human-BCHE