 Home > Encyclopedia > 2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide

2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide

2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide structure

CAS No:
98205-61-9
Formula:
C28H31N5O7
Chemical Name:
2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide
Synonyms:
saframycin Yd-2;saframycin-Yd2;Saframycin-Yd2;98205-61-9;Saframycin Yd-2;DTXSID80913381;2-Amino-N-[(7-cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]ethanimidic acid;Acetamide, 2-amino-N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-, (6R-(6alpha,7beta,9alpha,14abeta,15alpha))-

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2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide Basic Attributes

Molecular Weight：

549.6 g/mol

Exact Mass：

549.22234834 g/mol

Characteristics

PSA：

172 Å²

Drug Information

MeSH Entry Terms：

saframycin Yd-2

Computed Properties

Molecular Weight:549.6
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:549.22234834
Monoisotopic Mass:549.22234834
Topological Polar Surface Area:172
Heavy Atom Count:40
Complexity:1460
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-N-[[(1S,2S,10R,13R)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]acetamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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