[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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![[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3069ff080cda47fe8bdf60f9dd9fe5ae.png "[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate")
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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CAS No:
118598-93-9
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Formula:
C23H25N3O6S
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Chemical Name:
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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Synonyms:
118598-93-9;6-(2-(Phenylthio)ethoxy)-6-deaminomitomycin C;DTXSID90922727;(1aS)-6-(2-Phenylthioethoxy)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydro-8aalpha-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;{8a-Methoxy-5-methyl-4,7-dioxo-6-[2-(phenylsulfanyl)ethoxy]-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate
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CAS No:
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenylsulfanylethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate Basic Attributes
471.5 g/mol
471.14640670 g/mol
Computed Properties
Molecular Weight:471.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:471.14640670
Monoisotopic Mass:471.14640670
Topological Polar Surface Area:155
Heavy Atom Count:33
Complexity:943
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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