 Home > Encyclopedia > 2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide

2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide

2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide structure

CAS No:
153723-35-4
Formula:
C40H60N8O8
Chemical Name:
2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
Synonyms:
axinastatin 3;cyclo(Pro-Val-Asn-Pro-Phe-Ile-Leu);Axinastatin 3;153723-35-4;Cyclo(pro-val-asn-pro-phe-ile-leu);DTXSID40934799;Axinastatin 1, 4-L-isoleucine-5-L-leucine-;2-[12-Benzyl-9-(butan-2-yl)-8,11,14,22,25-pentahydroxy-6-(2-methylpropyl)-5,19-dioxo-23-(propan-2-yl)-2,3,5,6,9,12,14a,15,16,17,19,20,23,25a-tetradecahydro-1H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16,1

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2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide Basic Attributes

Molecular Weight：

781.0 g/mol

Exact Mass：

780.45341090 g/mol

Characteristics

PSA：

229 Å²

Drug Information

MeSH Entry Terms：

axinastatin 3

Computed Properties

Molecular Weight:781.0
XLogP3:2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:780.45341090
Monoisotopic Mass:780.45341090
Topological Polar Surface Area:229
Heavy Atom Count:56
Complexity:1470
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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