2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
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![2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/24720103ceb949e4a0c63223229d76e0.png "2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide")
2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
structure -
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CAS No:
137647-92-8
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Formula:
C38H56N8O8
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Chemical Name:
2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
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Synonyms:
axinastatin 1;cyclo(Asn-Pro-Phe-Val-Val-Pro-Val);Axinastatin 1;137647-92-8;Malaysiatin;Cyclo(asn-pro-phe-val-val-pro-val);CHEMBL326783;DTXSID00929863;2-[12-Benzyl-8,11,14,22,25-pentahydroxy-5,19-dioxo-6,9,23-tri(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][1,4,7,10,13,16,19]heptaazacyclohenicosin-20
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CAS No:
2-[(3S,6S,9S,15S,18S,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide Basic Attributes
752.9 g/mol
752.42211077 g/mol
Computed Properties
Molecular Weight:752.9
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:752.42211077
Monoisotopic Mass:752.42211077
Topological Polar Surface Area:229
Heavy Atom Count:54
Complexity:1430
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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