 Home > Encyclopedia > ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate

ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate

ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate structure

CAS No:
956194-32-4
Formula:
C27H34N4O5
Chemical Name:
ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate
Synonyms:
ZINC2161175;STL528888;AKOS032429337;956194-32-4;ethyl 3-((S)-4-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)pentanamido)benzoate;ethyl 3-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-L-leucyl)amino]benzoate

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ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate Basic Attributes

Molecular Weight：

494.6 g/mol

Exact Mass：

494.25292020 g/mol

Characteristics

PSA：

108 Å²

Computed Properties

Molecular Weight:494.6
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:494.25292020
Monoisotopic Mass:494.25292020
Topological Polar Surface Area:108
Heavy Atom Count:36
Complexity:929
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-[[(2S)-4-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]pentanoyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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