Chem
J-GLOBAL ID:201207095847254994
Nikkaji number:J3.048.859H
AD-93
N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[[(ベンゾチアゾール-6-イル)スルホニル][(S)-2-メチルブチル]アミノ]プロピル]-3-ヒドロキシベンズアミド
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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:
C29 H33 N3 O5 S2
Molecular formula furigana:
C29-H33-N3-O5-S2
Molecular weight:
567.720
InChI:
InChI=1S/C29H33N3O5S2/c1-3-20(2)17-32(39(36,37)24-12-13-25-28(16-24)38-19-30-25)18-27(34)26(14-21-8-5-4-6-9-21)31-29(35)22-10-7-11-23(33)15-22/h4-13,15-16,19-20,26-27,33-34H,3,14,17-18H2,1-2H3,(H,31,35)/t20-,26-,27+/m0/s1
InChI key:
OIOKJSPMDFSKEA-SQMFLSJESA-N
SMILES:
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc2ncsc2c1
Systematic name (3):
N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[[(ベンゾチアゾール-6-イル)スルホニル][(S)-2-メチルブチル]アミノ]プロピル]-3-ヒドロキシベンズアミド
3-ヒドロキシ-N-[(2S,3R)-3-ヒドロキシ-4-{N-[(2S)-2-メチルブチル]1,3-ベンゾチアゾール-6-スルホンアミド}-1-フェニルブタン-2-イル]ベンズアミド
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{N-[(2S)-2-methylbutyl]1,3-benzothiazole-6-sulfonamido}-1-phenylbutan-2-yl]benzamide
Other name (2):
N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[[(benzothiazole-6-yl)sulfonyl][(S)-2-methylbutyl]amino]propyl]-3-hydroxybenzamide
AD-93
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