 Home > Encyclopedia > (3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone

(3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone

(3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone structure

CAS No:
147395-10-6
Formula:
C45H61N7O8
Chemical Name:
(3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone
Synonyms:
cyclo(Pro-Ile-Pro-Ile-Phe-Pro-Tyr);cyclo(prolyl-isoleucyl-prolyl-isoleucyl-phenylalanyl-prolyl-tyrosyl);phakellistatin 1;Phakellistatin 1;147395-10-6;Cyclo(prolyl-isoleucyl-prolyl-isoleucyl-phenylalanyl-prolyl-tyrosyl);Cycloamanide B, 3-L-isoleucine-5-L-proline-6-L-tyrosine-

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(3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone Basic Attributes

Molecular Weight：

828.0 g/mol

Exact Mass：

827.45816193 g/mol

Characteristics

PSA：

198 Å²

Drug Information

MeSH Entry Terms：

cyclo(Pro-Ile-Pro-Ile-Phe-Pro-Tyr)

Computed Properties

Molecular Weight:828.0
XLogP3:4.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:827.45816193
Monoisotopic Mass:827.45816193
Topological Polar Surface Area:198
Heavy Atom Count:60
Complexity:1560
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lithium sulfate; dichloromethane boiling point; sodium hydrochloride; dcm boiling point; lacunar stroke; naoh sds

Guide of (3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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