Neoantimycin, methyl ester

N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide

Also Known As: Neoantimycin, methyl ester|N- -3-formylamino-2-methoxybenzamide|o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-|N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide|N-[15-Benzyl-10-(butan-2-yl)-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-methoxybenzamide

Molecular Formula	C37H48N2O12
Molecular Weight	712.32074 g/mol
LogP	5.6
Topological Polar Surface Area	193.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	712.32074
Monoisotopic Mass	712.32074
Heavy Atoms	51
Complexity	1220.0

Chemical Identifiers

CAS Number	22862-64-2
SMILES	CCC(C)C1C(=O)OC(C(C(=O)OC(C(=O)OC(C(C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)OC)C
InChIKey	MGPKGXHFCPPKBE-UHFFFAOYSA-N