Chem
J-GLOBAL ID：200907028031863459   Nikkaji number：J468.519I

N-Morpholinosulfonyl-L-Phe-2-ethylthio-L-Gly-[(1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methylhexyl]NH2

N-モルホリノスルホニル-L-Phe-2-エチルチオ-L-Gly-[(1S,2R,3S)-1-シクロヘキシルメチル-2,3-ジヒドロキシ-5-メチルヘキシル]NH2
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： C31H52N4O7S2
Molecular formula furigana： C31-H52-N4-O7-S2
Molecular weight： 656.900
InChI： InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1
InChI key： KJPRBAWNGKPDKH-WKEJTYEPSA-N
SMILES： CCS[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Systematic name  (3)：
  • N-モルホリノスルホニル-L-Phe-2-エチルチオ-L-Gly-[(1S,2R,3S)-1-シクロヘキシルメチル-2,3-ジヒドロキシ-5-メチルヘキシル]NH2
  • (2S)-N-[(S)-{[(2S,3R,4S)-1-シクロヘキシル-3,4-ジヒドロキシ-6-メチルヘプタン-2-イル]カルバモイル}(エチルスルファニル)メチル]-2-[(モルホリン-4-スルホニル)アミノ]-3-フェニルプロパンアミド
  • (2S)-N-[(S)-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl}(ethylsulfanyl)methyl]-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamide
Other name (1)：
  • N-Morpholinosulfonyl-L-Phe-2-ethylthio-L-Gly-[(1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methylhexyl]NH2
Thsaurus map：
Thesaurus Map

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