Chem
J-GLOBAL ID：200907027177586680   Nikkaji number：J1.360I

Uteracon

ウテラコン
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： C43H66N12O12S2
Molecular formula furigana： C43-H66-N12-O12-S2
Molecular weight： 1007.190
InChI： InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26?,27-,28-,29-,30-,31-,35-/m0/s1
InChI key： XNOPRXBHLZRZKH-LGMJNFKNSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N
Systematic name  (5)：
  • Cys(1)-Tyr-Ile-Gln-Asn-Cys(1)-Pro-Leu-Gly-NH2
  • L-Cys(1)-L-Tyr-L-Ile-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Leu-Gly-NH2
  • L-Cys(1)-L-Tyr-L-Ile-L-Glu(NH2)-L-Asp(NH2)-L-Cys(1)-L-Pro-L-Leu-Gly-NH2
  • (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-アミノ-13-[(2S)-ブタン-2-イル]-10-(2-カルバモイルエチル)-7-(カルバモイルメチル)-16-[(4-ヒドロキシフェニル)メチル]-6,9,12,15,18-ペンタオキソ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボニル]ピロリジン-2-イル]ホルムアミド}-N-(カルバモイルメチル)-4-メチルペンタンアミド
  • (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
Other name (12)：
  • ピトシン
  • ウテラコン
  • オキシトシン
  • シントシノン
  • Pitocin
Show all
CAS registry number： 50-56-6
Regulation number (3)：
  • (9)-287
  • 8-(7)-462
  • EINECS2000484
KEGG DRUG： D00089
KEGG COMPOUND： C00746
Application (2)：
oxytocic ,  hemostatic
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