Neoantimycin

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-hydroxybenzamide

Also Known As: Neoantimycin|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-hydroxybenzamide|Salicylamide, 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-|Benzamide, 3-(formylamino)-2-hydroxy-N-[14-hydroxy-7,13,13-trimethyl-3-(1-methylethyl)-10-(1-methylpropyl)-2,5,9,12-tetraoxo-15-(phenylmethyl)-1,4,8,11-tetraoxacyclopentadec-6-yl]-|N-[(3S,6S,7R,10R,14S,15S)-15-Benzyl-10-[(2S)-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-hydroxybenzamide

Molecular Formula	C36H46N2O12
Molecular Weight	698.30505 g/mol
LogP	5.8
Topological Polar Surface Area	204.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	698.30505
Monoisotopic Mass	698.30505
Heavy Atoms	50
Complexity	1200.0

Chemical Identifiers

CAS Number	22862-63-1
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)O)C
InChIKey	JIJATTFJYJZEBT-UHFFFAOYSA-N