cibinetide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 26
Total Number of Articles : 23
PubChem 91810664
Molecular Formula

C51H84N16O21

SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1

InChI

InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

synonyms
  • Cibinetide
  • 1208243-50-8
  • PHBSP
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Properties
Property Value
MW 1257.3 g/mol
HBD 20
HBA 22
Rotatable Bond Count 42
Exact Mass 1256.59969375 g/mol
Monoisotopic Mass 1256.59969375 g/mol
Heavy Atom Count 88
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 2560
xlogp -7.7
Topological Polar Surface Area 623