Cas no 145251-83-8 (Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI))

Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI) structure
145251-83-8 structure
Product Name:Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI)
CAS No:145251-83-8
MF:C86H118N20O21S3
MW:1864.17353582382
MDL:MFCD00143747
CID:101761
PubChem ID:102602414
Update Time:2025-04-18

Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI)
    • Biotin-Somatostatin-14
    • BIOTINYL-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH
    • Biotinyl-Somatostatin-14
    • Biotinyl-Somatostatin-14, Biotinyl-SRIF
    • Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-...
    • BIOTIN-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS
    • BIOTINYL-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH,(DISULFIDE BOND)
    • Biotinyl-SRIF
    • 145251-83-8
    • MFCD00143747
    • Biotinyl-Somatostatin-14 (biotinyl-Ala-Gly-Cys(1)-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys(1)-OH)
    • BIOTINYL-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH, (DISULFIDE BOND)
    • MDL： MFCD00143747
    • Inchi： 1S/C86H118N20O21S3/c1-46(92-68(111)32-16-15-31-66-72-63(43-128-66)103-86(127)106-72)73(113)91-41-69(112)93-64-44-129-130-45-65(85(125)126)102-81(121)62(42-107)101-84(124)71(48(3)109)105-80(120)59(37-51-25-11-6-12-26-51)100-83(123)70(47(2)108)104-75(115)56(30-18-20-34-88)94-78(118)60(38-52-40-90-54-28-14-13-27-53(52)54)98-77(117)58(36-50-23-9-5-10-24-50)96-76(116)57(35-49-21-7-4-8-22-49)97-79(119)61(39-67(89)110)99-74(114)55(95-82(64)122)29-17-19-33-87/h4-14,21-28,40,46-48,55-66,70-72,90,107-109H,15-20,29-39,41-45,87-88H2,1-3H3,(H2,89,110)(H,91,113)(H,92,111)(H,93,112)(H,94,118)(H,95,122)(H,96,116)(H,97,119)(H,98,117)(H,99,114)(H,100,123)(H,101,124)(H,102,121)(H,104,115)(H,105,120)(H,125,126)(H2,103,106,127)/t46-,47+,48+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1
    • InChI Key： PQILGRFDZWIBPV-HZRKSNLMSA-N
    • SMILES： S1C[C@H]2[C@@H]([C@@H]1CCCCC(N[C@H](C(NCC(N[C@@H]1C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC3C=CC=CC=3)C(N[C@@H](CC3C=CC=CC=3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(=O)O)CSSC1)=O)=O)[C@@H](C)O)=O)CC1C=CC=CC=1)=O)[C@@H](C)O)=O)CCCCN)=O)CC1=CNC3C=CC=CC1=3)=O)=O)=O)=O)CCCCN)=O)=O)=O)C)=O)NC(N2)=O

Computed Properties

  • Exact Mass: 1862.79000
  • Monoisotopic Mass: 1862.79425437g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 24
  • Hydrogen Bond Acceptor Count: 41
  • Heavy Atom Count: 130
  • Rotatable Bond Count: 35
  • Complexity: 3810
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 18
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.3
  • Topological Polar Surface Area: 733?2

Experimental Properties

  • Density: 1.44±0.1 g/cm3 (20 oC 760 Torr),
  • PSA: 733.34000
  • LogP: 3.51770

Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI) Pricemore >>

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Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI) Related Literature

145251-83-8 (Somatostatin (sheep),N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, [3aS-(3aa,4b,6aa)]- (9CI)) Related Products

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