Bis(6-chloro)triostin A

6-chloro-N-[20-[(6-chloroquinoxaline-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(6-chloro)triostin A|1-(N-((6-Chloro-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)triostin A|Triostin A, 1-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)-|6-chloro-N-[20-[(6-chloroquinoxaline-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	C50H60Cl2N12O12S2
Molecular Weight	1154.3273 g/mol
LogP	3.2
Topological Polar Surface Area	352.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	18
Rotatable Bonds	6
Exact Mass	1154.3273
Monoisotopic Mass	1154.3273
Heavy Atoms	78
Complexity	2090.0

Chemical Identifiers

CAS Number	85502-72-3
SMILES	CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=CN=C4C=C(C=CC4=N3)Cl)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=CN=C6C=C(C=CC6=N5)Cl)C)C)C
InChIKey	ZFVGYAKBACSCRV-UHFFFAOYSA-N