[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(prop-2-ynylamino)-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-(prop-2-ynylamino)-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/20220812/392af70ac007490385059b3eebef8b6e.png "[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(prop-2-ynylamino)-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-(prop-2-ynylamino)-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:
78142-79-7
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Formula:
C18H20N4O5
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Chemical Name:
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(prop-2-ynylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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Synonyms:
N(6)-2-Propynylmitomycin C;78142-79-7;N6-2-PROPYNYLMITOMYCIN C;NSC 331126;ZINC100825967;8-(((Aminocarbonyl)oxy)methyl)-6-((2-chloro-2-propenyl)amino)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione (1aR-(1aalpha,8beta,8aalpha,8balpha))-;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-6-((2-chloro-2-propenyl)amino)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aR-(1aalpha,8beta,8aalpha,8balpha))-;(1aS)-6-(2-Propynylamino)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8aalpha,8balpha-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
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CAS No:
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(prop-2-ynylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate Basic Attributes
372.4 g/mol
372.14336975 g/mol
Computed Properties
Molecular Weight:372.4
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:372.14336975
Monoisotopic Mass:372.14336975
Topological Polar Surface Area:133
Heavy Atom Count:27
Complexity:881
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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