Chem
J-GLOBAL ID:200907013585994710
Nikkaji number:J2.126.127K
2-[(R)-1-[[[2-[(R)-1-[[[2-[(R)-1-[(tert-Butyloxycarbonyl)amino]-2-methylpropyl]thiazole-4-yl]carbonyl]amino]ethyl]thiazole-4-yl]carbonyl]amino]ethyl]-5-methyloxazole-4-carboxylic acid methyl ester
2-[(R)-1-[[[2-[(R)-1-[[[2-[(R)-1-[(tert-ブチルオキシカルボニル)アミノ]-2-メチルプロピル]チアゾール-4-イル]カルボニル]アミノ]エチル]チアゾール-4-イル]カルボニル]アミノ]エチル]-5-メチルオキサゾール-4-カルボン酸メチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C27 H36 N6 O7 S2
Molecular formula furigana:
C27-H36-N6-O7-S2
Molecular weight:
620.740
InChI:
InChI=1S/C27H36N6O7S2/c1-12(2)18(33-26(37)40-27(6,7)8)24-31-17(11-42-24)21(35)29-14(4)23-30-16(10-41-23)20(34)28-13(3)22-32-19(15(5)39-22)25(36)38-9/h10-14,18H,1-9H3,(H,28,34)(H,29,35)(H,33,37)/t13-,14-,18-/m1/s1
InChI key:
YENOCQKSTOHKRW-HBUWYVDXSA-N
SMILES:
COC(=O)c1nc(oc1C)[C@@H](C)NC(=O)c1csc(n1)[C@@H](C)NC(=O)c1csc(n1)[C@H](NC(=O)OC(C)(C)C)C(C)C
Systematic name (3):
2-[(R)-1-[[[2-[(R)-1-[[[2-[(R)-1-[(tert-ブチルオキシカルボニル)アミノ]-2-メチルプロピル]チアゾール-4-イル]カルボニル]アミノ]エチル]チアゾール-4-イル]カルボニル]アミノ]エチル]-5-メチルオキサゾール-4-カルボン酸メチル
メチル 2-[(1R)-1-({2-[(1R)-1-({2-[(1R)-1-{[(tert-ブトキシ)カルボニル]アミノ}-2-メチルプロピル]-1,3-チアゾール-4-イル}ホルムアミド)エチル]-1,3-チアゾール-4-イル}ホルムアミド)エチル]-5-メチル-1,3-オキサゾール-4-カルボキシラート
methyl 2-[(1R)-1-({2-[(1R)-1-({2-[(1R)-1-{[(tert-butoxy)carbonyl]amino}-2-methylpropyl]-1,3-thiazol-4-yl}formamido)ethyl]-1,3-thiazol-4-yl}formamido)ethyl]-5-methyl-1,3-oxazole-4-carboxylate
Other name (1):
2-[(R)-1-[[[2-[(R)-1-[[[2-[(R)-1-[(tert-Butyloxycarbonyl)amino]-2-methylpropyl]thiazole-4-yl]carbonyl]amino]ethyl]thiazole-4-yl]carbonyl]amino]ethyl]-5-methyloxazole-4-carboxylic acid methyl ester
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