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Substance Name: Depreotide [USAN:INN]
RN: 161982-62-3
UNII: NDP0H8E844
InChIKey: XXXSJQLZVNKRKX-YQRDHHIGSA-N

Classification Codes

  • Diagnostic Aid (Nuclear Medicine Imaging Agent used in the Detection and Localization of Somatostatin Receptor Expressing Tumors)
  • Radioactive Agent

Molecular Formula

  • C65-H96-N16-O12-S2

Molecular Weight

  • 1357.7054
 
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Names and Synonyms

Name of Substance

  • Depreotide [USAN:INN]
  • P 829

Synonyms

  • Cyclo(L-homocysteinyl-N-methyl-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl) (1-1')-sulfide with 3-((mercaptoacetyl)amino)-L-alanyl-L-lysyl-L-cysteinyl-L-lysinamide
  • Cyclo(L-homocysteinyl-N-methyl-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl), (1-1')-sulfide with 3-(2-mercaptoacetamido)-L-alanyl-L-lysyl-L-cysteinyl-L-lysinamide
  • Depreotide
  • Lys-Cys-Lys-(beta-DAP)-CH2CO-S-cyclo(hCys-(N-Me)Phe-Tyr-Trp-Lys-Val)
  • Lysyl-cysteinyl-lysyl-(beta-DAP) cyclo(homocysteinyl-(N-methyl)phenylalanyl-tyrosyl-tryptophyl-lysyl-valyl)thiomethyl ketone
  • P 829
  • P-829
  • P829
  • P829 cpd
  • UNII-NDP0H8E844

Systematic Name

  • Cyclo(L-homocysteinyl-N-methyl-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl), (1-1')-thioether with 3-((mercaptoacetyl)amino)-L-alanyl-L-lysyl-L-cysteinyl-L-lysinamide

Registry Numbers

CAS Registry Number

  • 161982-62-3

FDA UNII

  • NDP0H8E844

Other Registry Number

  • 174510-48-6

System Generated Number

  • 0161982623

Structure Descriptors

InChI

InChI=1S/C65H96N16O12S2/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-/m0/s1

InChIKey

XXXSJQLZVNKRKX-YQRDHHIGSA-N

Smiles

CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc5ccccc5)N(C)C(=O)[C@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)NC1=O