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Substance Name: Tocinoic acid, ser(4)-
RN: 53032-97-6
InChIKey: JHYVGQMJZYGAAL-UQIVDBRLSA-N

Note

  • Ring moiety of oxytocin; Gln in position 4 of oxytocin replaced by Ser.

Molecular Formula

  • C28-H41-N7-O10-S2

Molecular Weight

  • 699.8029
 
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Names and Synonyms

Name of Substance

  • Tocinoic acid, ser(4)-

Synonyms

  • 4-L-Serine-4-de-L-proline-8-de-L-leucine-9-deglycinamideoxytocin
  • 4-Ser-tocinoic acid
  • Tocinoic acid, serine(4)-

Systematic Name

  • Oxytocin, 4-L-serine-7-de-L-proline-8-de-L-leucine-9-deglycinamide-

Registry Numbers

CAS Registry Number

  • 53032-97-6

System Generated Number

  • 0053032976

Structure Descriptors

InChI

1S/C28H41N7O10S2/c1-3-13(2)22-27(43)33-19(10-36)26(42)32-18(9-21(30)38)24(40)34-20(28(44)45)12-47-46-11-16(29)23(39)31-17(25(41)35-22)8-14-4-6-15(37)7-5-14/h4-7,13,16-20,22,36-37H,3,8-12,29H2,1-2H3,(H2,30,38)(H,31,39)(H,32,42)(H,33,43)(H,34,40)(H,35,41)(H,44,45)/t13-,16-,17-,18-,19-,20-,22-/m0/s1

InChIKey

JHYVGQMJZYGAAL-UQIVDBRLSA-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@H](CO)NC1=O)C(=O)O