Cas no 58100-03-1 (Tyr-Somatostatin-14)

Tyr-Somatostatin-14 structure
Tyr-Somatostatin-14 structure
Product Name:Tyr-Somatostatin-14
CAS No:58100-03-1
MF:C85H113N19O21S2
MW:1801.05143713951
MDL:MFCD00076767
CID:367196
Update Time:2025-04-19

Tyr-Somatostatin-14 Chemical and Physical Properties

Names and Identifiers

    • Somatostatin (sheep),N-L-tyrosyl- (9CI)
    • H-TYR-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS-OH
    • TYR-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS
    • Tyr-Somatostatin-14
    • MDL: MFCD00076767
    • Inchi: 1S/C85H113N19O21S2/c1-46(92-73(112)56(88)35-52-29-31-54(108)32-30-52)72(111)91-42-69(110)93-66-44-126-127-45-67(85(124)125)102-81(120)65(43-105)101-84(123)71(48(3)107)104-80(119)62(38-51-23-11-6-12-24-51)100-83(122)70(47(2)106)103-75(114)59(28-16-18-34-87)94-78(117)63(39-53-41-90-57-26-14-13-25-55(53)57)98-77(116)61(37-50-21-9-5-10-22-50)96-76(115)60(36-49-19-7-4-8-20-49)97-79(118)64(40-68(89)109)99-74(113)58(95-82(66)121)27-15-17-33-86/h4-14,19-26,29-32,41,46-48,56,58-67,70-71,90,105-108H,15-18,27-28,33-40,42-45,86-88H2,1-3H3,(H2,89,109)(H,91,111)(H,92,112)(H,93,110)(H,94,117)(H,95,121)(H,96,115)(H,97,118)(H,98,116)(H,99,113)(H,100,122)(H,101,123)(H,102,120)(H,103,114)(H,104,119)(H,124,125)/t46-,47+,48+,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-,71-/m0/s1
    • InChI Key: WIKMYZSTFRZVMC-QHCKLBFVSA-N
    • SMILES: S1C[C@@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC2C=CC=CC=2)C(N[C@@H](CC2C=CC=CC=2)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CS1)=O)CO)=O)[C@@H](C)O)=O)CC1C=CC=CC=1)=O)[C@@H](C)O)=O)CCCCN)=O)CC1=CNC2C=CC=CC1=2)=O)=O)=O)=O)CCCCN)=O)NC(CNC([C@H](C)NC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)=O

Computed Properties

  • Exact Mass: 1799.78000
  • Monoisotopic Mass: 1799.78
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 24
  • Hydrogen Bond Acceptor Count: 40
  • Heavy Atom Count: 127
  • Rotatable Bond Count: 33
  • Complexity: 3630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 713A^2

Experimental Properties

  • PSA: 713.16000
  • LogP: 3.11020

Tyr-Somatostatin-14 Security Information

  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Tyr-Somatostatin-14 Pricemore >>

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abcr
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Tyr-Somatostatin-14 (H-Tyr-Ala-Gly-Cys(1)-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys(1)-OH); .
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