(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
-
![(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/32d758e9c3504cd48b0a2ab800b81cbd.png "(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
structure -
-
CAS No:
956777-94-9
-
Formula:
C27H33N5O3S
-
Chemical Name:
(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
-
Synonyms:
ZINC2095376;STL546912;AKOS030497722;(1S,5S)-N-[(2S)-1-{[2-(1H-indol-3-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956777-94-9
-
CAS No:
(1S,9S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
507.6 g/mol
507.23041111 g/mol
Computed Properties
Molecular Weight:507.6
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:507.23041111
Monoisotopic Mass:507.23041111
Topological Polar Surface Area:123
Heavy Atom Count:36
Complexity:908
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation