 Home > Encyclopedia > 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-

2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-

2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)- structure

CAS No:
198904-02-8
Formula:
C35H48N6O7S
Chemical Name:
2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-
Synonyms:
CHEMBL325900;198904-02-8;2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-;1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-((N-(methoxycarbonyl)-L-tert-leucinyl)amino)-5(S)-((N-(methoxycarbonyl)-L-valinyl)amino)-6-phenyl-2-azahexane;1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-[[N-(methoxycarbonyl)-L-tert-leucinyl]amino]-5(S)-[[N-(methoxycarbonyl)-L-valinyl]amino]-6-phenyl-2-azahexane;2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-;SCHEMBL6108;DTXSID70173659;BDBM50066473;methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;{(S)-1-[N''-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3-methyl-butyrylamino)-4-phenyl-butyl]-N''-(4-thiazol-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester;1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane;1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-5(S)-N-(N-methoxylcarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane;methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-thiazol-2-ylphenyl)methyl]amino]propyl]carbamoyl]-2-methyl-propyl]carbamate

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2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)- Basic Attributes

Molecular Weight：

696.9 g/mol

Exact Mass：

696.33051906 g/mol

DSSTox ID：

DTXSID70173659

Characteristics

PSA：

200 Å²

Computed Properties

Molecular Weight:696.9
XLogP3:5.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:696.33051906
Monoisotopic Mass:696.33051906
Topological Polar Surface Area:200
Heavy Atom Count:49
Complexity:1060
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-

Basic Attributes
Characteristics
Computed Properties
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