Chem
J-GLOBAL ID:200907002504475088
Nikkaji number:J588.607D
[[(R)-(Phenylacetylamino)[4β-[[2-[[2α-[(R)-1-(phenylacetylamino)-2-oxo-2-(benzylamino)ethyl]-5,5-dimethyl-4β-thiazolidinyl]carbonylamino]ethyl]aminocarbonyl]-5,5-dimethyl-2α-thiazolidinyl]acetyl]amino]acetic acid
[[(R)-(フェニルアセチルアミノ)[4β-[[2-[[2α-[(R)-1-(フェニルアセチルアミノ)-2-オキソ-2-(ベンジルアミノ)エチル]-5,5-ジメチル-4β-チアゾリジニル]カルボニルアミノ]エチル]アミノカルボニル]-5,5-ジメチル-2α-チアゾリジニル]アセチル]アミノ]酢酸
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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:
C43 H54 N8 O8 S2
Molecular formula furigana:
C43-H54-N8-O8-S2
Molecular weight:
875.070
InChI:
InChI=1S/C43H54N8O8S2/c1-42(2)34(50-40(60-42)32(36(56)46-24-28-18-12-7-13-19-28)48-29(52)22-26-14-8-5-9-15-26)38(58)44-20-21-45-39(59)35-43(3,4)61-41(51-35)33(37(57)47-25-31(54)55)49-30(53)23-27-16-10-6-11-17-27/h5-19,32-35,40-41,50-51H,20-25H2,1-4H3,(H,44,58)(H,45,59)(H,46,56)(H,47,57)(H,48,52)(H,49,53)(H,54,55)/t32-,33-,34+,35+,40-,41-/m1/s1
InChI key:
QPDMUFJSMGAWSC-RFJUNZOCSA-N
SMILES:
CC1(C)S[C@@H](N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)O
Systematic name (3):
[[(R)-(フェニルアセチルアミノ)[4β-[[2-[[2α-[(R)-1-(フェニルアセチルアミノ)-2-オキソ-2-(ベンジルアミノ)エチル]-5,5-ジメチル-4β-チアゾリジニル]カルボニルアミノ]エチル]アミノカルボニル]-5,5-ジメチル-2α-チアゾリジニル]アセチル]アミノ]酢酸
2-[(2R)-2-[(2R,4S)-4-[(2-{[(2R,4S)-2-[(R)-(ベンジルカルバモイル)(2-フェニルアセトアミド)メチル]-5,5-ジメチル-1,3-チアゾリジン-4-イル]ホルムアミド}エチル)カルバモイル]-5,5-ジメチル-1,3-チアゾリジン-2-イル]-2-(2-フェニルアセトアミド)アセトアミド]酢酸
2-[(2R)-2-[(2R,4S)-4-[(2-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(2-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-(2-phenylacetamido)acetamido]acetic acid
Other name (1):
[[(R)-(Phenylacetylamino)[4β-[[2-[[2α-[(R)-1-(phenylacetylamino)-2-oxo-2-(benzylamino)ethyl]-5,5-dimethyl-4β-thiazolidinyl]carbonylamino]ethyl]aminocarbonyl]-5,5-dimethyl-2α-thiazolidinyl]acetyl]amino]acetic acid
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