7-((2-Furanylmethyl)amino)actinomycin D structure

7-((2-Furanylmethyl)amino)actinomycin D

2-amino-7-(furan-2-ylmethylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

Also Known As: 7-((2-Furanylmethyl)amino)actinomycin D|Actinomycin D, 7-((2-furanylmethyl)amino)-|2-amino-7-(furan-2-ylmethylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

CAS: 67230-64-2
Molecular Formula C67H91N13O17
Molecular Weight 1349.6656 g/mol
LogP 4.3
Topological Polar Surface Area 381.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 20
Rotatable Bonds 11
Exact Mass 1349.6656
Monoisotopic Mass 1349.6656
Heavy Atoms 97
Complexity 3240.0

Chemical Identifiers

CAS Number 67230-64-2
SMILES CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NCC8=CC=CO8
InChIKey GQJNROWSLOLKBI-UHFFFAOYSA-N

Product Overview

7-((2-Furanylmethyl)amino)actinomycin D (CAS 67230-64-2), with molecular formula C67H91N13O17 and molecular weight 1349.6656 g/mol. IUPAC: 2-amino-7-(furan-2-ylmethylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide.

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