SANGLIFEHRIN A
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
Molecular Identity
SANGLIFEHRIN A
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
PubChem CID: 5388925
2D Structure
Properties
C60H91N5O13
Molecular Formula
1090.40
Molecular Weight
g/mol
1089.6613
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
273
TPSA
May have limited oral absorption
9
H-Bond Donors
14
H-Bond Acceptors
2150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SANGLIFEHRIN A187148-13-6DTXSID101022539RefChem:181156DTXCID901507224(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-((2E,4E,8S,9S)-10-((2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro(5.5)undecan-2-yl)-9-hydroxy-8-methyldeca-2,4-dien-2-yl)-10,12-dihydroxy-3-((3-hydroxyphenyl)methyl)-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo(19.3.1)pentacosa-13,15-diene-2,5,8,20-tetrone1yndSFACHEMBL410807orb3024442SCHEMBL2587742SCHEMBL30269754GTPL13322YQF2675ONJZYZYZIKTIEG-CFBQITSMSA-N
Data from PubChem (NCBI)
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