Bis(3-amino)triostin A

3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide

Also Known As: Bis(3-amino)triostin A|Triostin A, 1-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-|3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide

Molecular Formula	C50H64N14O12S2
Molecular Weight	1116.427 g/mol
LogP	2.4
Topological Polar Surface Area	404.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	20
Rotatable Bonds	6
Exact Mass	1116.427
Monoisotopic Mass	1116.427
Heavy Atoms	78
Complexity	2080.0

Chemical Identifiers

CAS Number	85502-71-2
SMILES	CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3N)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=C5N)C)C)C
InChIKey	SRJRNFRLRQNCBB-UHFFFAOYSA-N