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Substance Name: Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-
RN: 70056-23-4
InChIKey: ZAENIBJZBCHIPP-KWBWWMMESA-N

Molecular Formula

  • C47-H72-N10-O12-S2

Molecular Weight

  • 1033.28
 
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Names and Synonyms

  • Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-4-L-threonine-

Registry Numbers

CAS Registry Number

  • 70056-23-4

System Generated Number

  • 0070056234

Structure Descriptors

InChI

1S/C47H72N10O12S2/c1-6-26(4)38-44(67)56-39(27(5)58)45(68)53-32(21-35(48)60)41(64)54-33(46(69)57-18-10-11-34(57)43(66)52-30(19-25(2)3)40(63)50-23-36(49)61)24-70-71-47(16-8-7-9-17-47)22-37(62)51-31(42(65)55-38)20-28-12-14-29(59)15-13-28/h12-15,25-27,30-34,38-39,58-59H,6-11,16-24H2,1-5H3,(H2,48,60)(H2,49,61)(H,50,63)(H,51,62)(H,52,66)(H,53,68)(H,54,64)(H,55,65)(H,56,67)/t26-,27+,30-,31-,32-,33-,34-,38?,39-/m0/s1

InChIKey

ZAENIBJZBCHIPP-KWBWWMMESA-N

Smiles

c1(ccc(O)cc1)C[C@H]1C(=O)N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N2[C@@H](CCC2)C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)=O)CSSC2(CC(N1)=O)CCCCC2)CC(N)=O)=O)[C@H](O)C)=O