Destruxin D2

2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid

Also Known As: Destruxin D2|2-methyl-3- propanoicacid|Destruxin D, 2-L-valine-|2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid|b-Alanine,4-carboxy-2-hydroxypentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-,(6(R)1)-lactone (9CI)|beta-Alanine, 4-carboxy-2-hydroxypentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5|3-[1,10-Dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-3,6-di(propan-2-yl)-3,4,5,6,7,8,9,12,13,14,16,17,19,20,21,21a-hexadecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]-2-methylpropanoic acid|b-Alanine,4-carboxy-2-hydroxypentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-,(6®1)-lactone (9CI)

Molecular Formula	C29H47N5O9
Molecular Weight	609.3374 g/mol
LogP	1.2
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	609.3374
Monoisotopic Mass	609.3374
Heavy Atoms	43
Complexity	1090.0

Chemical Identifiers

CAS Number	79385-97-0
SMILES	CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)C(C)C)CC(C)C(=O)O
InChIKey	PQDFKLRXDHJLPB-UHFFFAOYSA-N