Chem
J-GLOBAL ID:201207094357556015
Nikkaji number:J3.093.920D
SH-5
2-[N-(ベンジルオキシカルボニル)-Val-Leu-3-[(3S)-2-オキソピロリジン-3-イル]-Ala-]ベンゾチアゾール
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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:
C33 H41 N5 O6 S
Molecular formula furigana:
C33-H41-N5-O6-S
Molecular weight:
635.780
InChI:
InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1
InChI key:
KSCRVOKQPYZBHZ-IXPOFIJOSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Systematic name (4):
(2S)-1-(ベンゾチアゾール-2-イル)-2-[(Z-Val-Leu-)アミノ]-3-[(3S)-2-オキソピロリジン-3-イル]-1-プロパノン
2-[N-(ベンジルオキシカルボニル)-Val-Leu-3-[(3S)-2-オキソピロリジン-3-イル]-Ala-]ベンゾチアゾール
ベンジル N-[(1S)-1-{[(1S)-1-{[(2S)-1-(1,3-ベンゾチアゾール-2-イル)-1-オキソ-3-[(3S)-2-オキソピロリジン-3-イル]プロパン-2-イル]カルバモイル}-3-メチルブチル]カルバモイル}-2-メチルプロピル]カルバマート
benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamate
Other name (3):
(2S)-1-(Benzothiazole-2-yl)-2-[(Z-Val-Leu-)amino]-3-[(3S)-2-oxopyrrolidine-3-yl]-1-propanone
2-[N-(Benzyloxycarbonyl)-Val-Leu-3-[(3S)-2-oxopyrrolidine-3-yl]-Ala-]benzothiazole
SH-5
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