RefChem:930490

N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide

CAS: 1403-88-9

Molecular Formula	`C51H64N12O12S2`
Molecular Weight	1101.3 g/mol
LogP	2.7
Topological Polar Surface Area	352.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	18
Rotatable Bonds	7
Exact Mass	1100.4208
Heavy Atoms	77
Complexity	2200.0

Chemical Identifiers

CAS Number	1403-88-9
SMILES	`CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C`
InChIKey	`AUJXLBOHYWTPFV-UHFFFAOYSA-N`

📖 Product Overview

RefChem:930490 (CAS: 1403-88-9) is a chemical compound with molecular formula C51H64N12O12S2 and molecular weight 1101.3 g/mol. Its IUPAC systematic name is N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide. LogP 2.7 Topological Polar Surface Area 352.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 18 Rotatable Bonds 7 Exact Mass 1100.4208 Heavy Atoms 77 Complexity 2200.0 InChI Key: AUJXLBOHYWTPFV-UHFFFAOYSA-N. SMILES: CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C.

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