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Substance Name: Vasopressin, N,N-diethylamide 1-(1-mercaptocyclohexaneacetic acid)-2-O-methyl-tyr-4-glutamic acid (gamma-N,N-diethylamide)-8-arg-
RN: 125443-55-2
InChIKey: QJFLLIGCIKBGLO-DRODSASKSA-N

Note

  • Arginine vasopressin antagonist.

Molecular Formula

  • C60-H90-N14-O12-S2

Molecular Weight

  • 1263.589
 
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Names and Synonyms

Name of Substance

  • Vasopressin, N,N-diethylamide 1-(1-mercaptocyclohexaneacetic acid)-2-O-methyl-tyr-4-glutamic acid (gamma-N,N-diethylamide)-8-arg-

Synonyms

  • Dmmtgd-argipressin
  • N,N-Diethylamide 1-(1-mercaptocyclohexaneacetic acid)-2-O-methyltyrosine-4-glutamic acid (gamma-N,N-diethylamide)-8-arginine-vasopressin

Systematic Name

  • Glycinamide, N-((1-mercaptocyclohexyl)acetyl)-O-methyl-L-tyrosyl-L-phenylalanyl-N,N-diethyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-N,N-diethyl-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 125443-55-2

System Generated Number

  • 0125443552

Structure Descriptors

InChI

1S/C60H90N14O12S2/c1-6-71(7-2)36-51(78)74(58(85)44(33-38-18-12-10-13-19-38)69-52(79)42(32-39-22-24-40(86-5)25-23-39)66-50(77)35-60(88)28-14-11-15-29-60)57(84)41(20-16-30-65-59(63)64)67-55(82)47-21-17-31-73(47)56(83)45(37-87)70-53(80)43(34-49(62)76)68-54(81)46(26-27-48(61)75)72(8-3)9-4/h10,12-13,18-19,22-25,37,41-47,88H,6-9,11,14-17,20-21,26-36H2,1-5H3,(H2,61,75)(H2,62,76)(H,66,77)(H,67,82)(H,68,81)(H,69,79)(H,70,80)(H4,63,64,65)/t41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

QJFLLIGCIKBGLO-DRODSASKSA-N

Smiles

CCN(CC)CC(=O)N(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C=S)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)N(CC)CC)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)CC4(CCCCC4)S