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Substance Name: Oxytocin, N-acetyl-2-O-methyl-tyr-
RN: 30750-55-1
InChIKey: DJUKMSKWRAHKNJ-KQOKFJBASA-N

Note

  • Specific antagonist of oxytocin; an oxytocin receptor antagonist.

Molecular Formula

  • C46-H70-N12-O13-S2

Molecular Weight

  • 1063.26
 
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Names and Synonyms

Name of Substance

  • Oxytocin, N-acetyl-2-O-methyl-tyr-

Synonym

  • EINECS 250-326-4

Systematic Name

  • Oxytocin, N-acetyl-2-(O-methyl-l-tyrosine)-

Registry Numbers

CAS Registry Number

  • 30750-55-1

System Generated Number

  • 0030750551

Structure Descriptors

InChI

1S/C46H70N12O13S2/c1-7-24(4)38-45(69)52-28(14-15-35(47)60)40(64)54-31(19-36(48)61)41(65)56-33(46(70)58-16-8-9-34(58)44(68)55-29(17-23(2)3)39(63)50-20-37(49)62)22-73-72-21-32(51-25(5)59)43(67)53-30(42(66)57-38)18-26-10-12-27(71-6)13-11-26/h10-13,23-24,28-34,38H,7-9,14-22H2,1-6H3,(H2,47,60)(H2,48,61)(H2,49,62)(H,50,63)(H,51,59)(H,52,69)(H,53,67)(H,54,64)(H,55,68)(H,56,65)(H,57,66)/t24-,28-,29-,30-,31-,32-,33-,34-,38?/m0/s1

InChIKey

DJUKMSKWRAHKNJ-KQOKFJBASA-N

Smiles

c1(ccc(cc1)OC)C[C@H]1C(N[C@@H](C(N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(NCC(N)=O)=O)CC(C)C)CSSC[C@@H](C(N1)=O)NC(C)=O)CCC(=O)N)=O)[C@H](CC)C)=O