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Substance Name: SK&F 103784
RN: 111372-60-2
InChIKey: SXDCKULNORYMKR-HCRLECSDSA-N

Note

  • Has additional Gln moiety in position 7; vasopressin antagonist.

Molecular Formula

  • C56-H82-N14-O12-S2

Molecular Weight

  • 1207.4818
 
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Names and Synonyms

Name of Substance

  • SK&F 103784

Synonyms

  • O-Ethyl-N-((1-mercaptocyclohexyl)acetyl)-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-glutaminyl-L-argininamide cyclic (1-5)-disulfide
  • SK&F-103784
  • Skf 103784

Systematic Name

  • L-Argininamide, O-ethyl-N-((1-mercaptocyclohexyl)acetyl)-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-glutaminyl-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 111372-60-2

System Generated Number

  • 0111372602

Structure Descriptors

InChI

1S/C56H82N14O12S2/c1-4-82-35-19-17-34(18-20-35)28-38(63-45(73)30-56(84)23-9-6-10-24-56)49(76)66-39(27-33-13-7-5-8-14-33)51(78)69-46(32(2)3)53(80)67-40(29-44(58)72)50(77)68-41(31-83)54(81)70-26-12-16-42(70)52(79)65-37(21-22-43(57)71)48(75)64-36(47(59)74)15-11-25-62-55(60)61/h5,7-8,13-14,17-20,31-32,36-42,46,84H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,74)(H,63,73)(H,64,75)(H,65,79)(H,66,76)(H,67,80)(H,68,77)(H,69,78)(H4,60,61,62)/t36-,37-,38+,39-,40-,41-,42-,46-/m0/s1

InChIKey

SXDCKULNORYMKR-HCRLECSDSA-N

Smiles

CCOc1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CC4(CCCCC4)S