 Home > Encyclopedia > ((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester

((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester

((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester structure

CAS No:
198903-91-2
Formula:
C36H50N6O7S
Chemical Name:
((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
Synonyms:
CHEMBL326941;198903-91-2;1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane;1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane;SCHEMBL6837;DTXSID50173652;BDBM50066459;((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester;1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hvdroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane;methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-[(4-thiazol-5-ylphenyl)methyl]amino]-2-hydroxy-propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate

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((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester Basic Attributes

Molecular Weight：

710.9 g/mol

Exact Mass：

710.34616913 g/mol

DSSTox ID：

DTXSID50173652

Characteristics

PSA：

200 Å²

Computed Properties

Molecular Weight:710.9
XLogP3:5.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:19
Exact Mass:710.34616913
Monoisotopic Mass:710.34616913
Topological Polar Surface Area:200
Heavy Atom Count:50
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester

Basic Attributes
Characteristics
Computed Properties
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