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Substance Name: Oxytocin, 1-(N-maleoyl-11-aminoundecanoyl)cys-
RN: 57078-97-4
InChIKey: HTUFRBIXAFYFHH-KVTOVUOSSA-N

Molecular Weight

  • 1270.53
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-(N-maleoyl-11-aminoundecanoyl)cys-

Synonyms

  • 1-(N-Maleoyl-11-aminoundecanoyl)cys-oxytocin
  • OXMAC
  • Oxytocin, 1-(N-maleoyl-11-aminoundecanoyl)cysteine-

Systematic Name

  • Oxytocin, N-(11-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxoundecyl)-

Registry Numbers

CAS Registry Number

  • 57078-97-4

System Generated Number

  • 0057078974

Structure Descriptors

InChI

1S/C58H87N13O15S2/c1-5-34(4)50-57(85)64-37(21-22-44(59)73)52(80)66-40(29-45(60)74)53(81)68-42(58(86)70-26-14-15-43(70)56(84)67-38(27-33(2)3)51(79)62-30-46(61)75)32-88-87-31-41(55(83)65-39(54(82)69-50)28-35-17-19-36(72)20-18-35)63-47(76)16-12-10-8-6-7-9-11-13-25-71-48(77)23-24-49(71)78/h17-20,23-24,33-34,37-43,50,72H,5-16,21-22,25-32H2,1-4H3,(H2,59,73)(H2,60,74)(H2,61,75)(H,62,79)(H,63,76)(H,64,85)(H,65,83)(H,66,80)(H,67,84)(H,68,81)(H,69,82)/t34-,37-,38-,39-,40-,41-,42-,43?,50?/m0/s1

InChIKey

HTUFRBIXAFYFHH-KVTOVUOSSA-N

Smiles

N1(C(C=CC1=O)=O)CCCCCCCCCCC(N[C@H]1CSSC[C@H](NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC1=O)Cc1ccc(cc1)O)=O)[C@H](CC)C)CCC(N)=O)CC(N)=O)=O)C(N1CCC[C@@H]1C(N[C@@H](CC(C)C)C(=O)NCC(=O)N)=O)=O)=O