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Substance Name: Vasopressin, 1-deamino-4-(2-aminobutyric acid)-8-arg-
RN: 25953-03-1
InChIKey: IJAAXQRWLKOZCR-CTWDBFPRSA-N

Molecular Formula

  • C45-H63-N13-O11-S2

Molecular Weight

  • 1026.2047
 
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Names and Synonyms

Name of Substance

  • Vasopressin, 1-deamino-4-(2-aminobutyric acid)-8-arg-

Synonyms

  • 1-Deamino-4-(2-aminobutyric acid)-8-arginine vasopressin
  • Dabuavp

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-4-(L-2-aminobutanoic acid)-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 25953-03-1

System Generated Number

  • 0025953031

Structure Descriptors

InChI

1S/C45H63N13O11S2/c1-2-28(46)38(63)57-37(62)23-51-39(64)29(10-6-17-50-45(48)49)53-43(68)34-11-7-18-58(34)44(69)33(24-71)56-42(67)32(22-35(47)60)55-41(66)31(20-25-8-4-3-5-9-25)54-40(65)30(52-36(61)16-19-70)21-26-12-14-27(59)15-13-26/h3-5,8-9,12-15,24,28-34,59,70H,2,6-7,10-11,16-23,46H2,1H3,(H2,47,60)(H,51,64)(H,52,61)(H,53,68)(H,54,65)(H,55,66)(H,56,67)(H4,48,49,50)(H,57,62,63)/t28?,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey

IJAAXQRWLKOZCR-CTWDBFPRSA-N

Smiles

CCC(C(=O)NC(=O)CNC(=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](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)CCS)N