Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nacartocin [INN]
RN: 77727-10-7
UNII: TA88W10B8Z
InChIKey: JPYLEKXLHLKVBI-IHJZLXGESA-N

Note

  • Analog of oxytocin with enhanced natriuretic properties.

Molecular Formula

  • C46-H71-N11-O11-S

Molecular Weight

  • 986.1989
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Nacartocin
  • Nacartocin [INN]

Synonyms

  • 1-(3-Marcaptopropionsaeure)-2-(3-(4-ethylphenyl)-L-alanin)-6-(L-2-aminobuttersaeure)oxytocin
  • 1-(3-Mercaptopropionic acid)-2-(3-(p-ethylphenyl)-L-alanine)-6-(L-2-aminobutyric acid)oxytocin
  • Nacartocin
  • Nacartocina
  • Nacartocina [Spanish]
  • Nacartocine
  • Nacartocine [French]
  • Nacartocinum
  • Nacartocinum [Latin]
  • UNII-TA88W10B8Z

Systematic Name

  • 1-(3-Mercaptopropionic acid)-2-(3-(p-ethylphenyl)-L-alanine)-6-(L-2-aminobutyric acid)oxytocin

Registry Numbers

CAS Registry Number

  • 77727-10-7

FDA UNII

  • TA88W10B8Z

System Generated Number

  • 0077727107

Structure Descriptors

InChI

1S/C46H71N11O11S/c1-6-26(5)39-45(67)52-29(14-15-35(47)58)41(63)54-33(23-36(48)59)42(64)53-30(16-19-69-20-17-38(61)51-32(43(65)56-39)22-28-12-10-27(7-2)11-13-28)46(68)57-18-8-9-34(57)44(66)55-31(21-25(3)4)40(62)50-24-37(49)60/h10-13,25-26,29-34,39H,6-9,14-24H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,64)(H,54,63)(H,55,66)(H,56,65)/t26-,29-,30-,31-,32-,33-,34-,39-/m0/s1

InChIKey

JPYLEKXLHLKVBI-IHJZLXGESA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(CC)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N