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Substance Name: Vasotocin, 1-(beta-mercaptopropionic acid)-8-arg-9-(4-aminofluoresceinyl-phe)-
RN: 126660-40-0
InChIKey: KDWOWJXJMHKBLM-UHFFFAOYSA-N

Molecular Formula

  • C74-H81-N15-O18-S3

Molecular Weight

  • 1564.7389
 
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Names and Synonyms

Name of Substance

  • Vasotocin, 1-(beta-mercaptopropionic acid)-8-arg-9-(4-aminofluoresceinyl-phe)-

Synonyms

  • 1-(3-Mercaptopropanoic acid)-8-L-arginine-9-(4-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)amino)thioxomethyl)amino)-L-phenylalanine)vasopressin
  • 1-Desamino-8-arg-9-(flu)phe-vasotocin
  • d9Phe(Flu)avt
  • Mhfp-avt
  • Mpa(1),(4-NH2flu)phe(9)avt
  • Vasotocin, 1-deamino-arginyl(8)-(fluorescein)phenylalanine(9)-
  • Vasotocin, 1-desamino-arg(8)-fluorescein-phe(9)-

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-8-L-arginine-9-(4-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)amino)thioxomethyl)amino)-L-phenylalanine)-

Registry Numbers

CAS Registry Number

  • 126660-40-0

System Generated Number

  • 0126660400

Structure Descriptors

InChI

1S/C74H81N15O18S3/c75-60(93)25-24-51-64(97)86-54(36-61(76)94)67(100)88-56(37-110-109-29-26-62(95)82-52(31-40-12-17-43(90)18-13-40)65(98)85-53(66(99)83-51)30-38-6-2-1-3-7-38)69(102)89-28-5-9-57(89)68(101)84-50(8-4-27-79-72(77)78)63(96)87-55(70(103)104)32-39-10-14-41(15-11-39)80-73(108)81-42-16-21-46-49(33-42)74(107-71(46)105)47-22-19-44(91)34-58(47)106-59-35-45(92)20-23-48(59)74/h1-3,6-7,10-23,33-35,50-57,90-92H,4-5,8-9,24-32,36-37H2,(H2,75,93)(H2,76,94)(H,82,95)(H,83,99)(H,84,101)(H,85,98)(H,86,97)(H,87,96)(H,88,100)(H,103,104)(H4,77,78,79)(H2,80,81,108)

InChIKey

KDWOWJXJMHKBLM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc5ccc(cc5)NC(=S)Nc6ccc7c(c6)C8(c9ccc(cc9Oc1c8ccc(c1)O)O)OC7=O)C(=O)O)CC(=O)N)CCC(=O)N