Oxytocin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 178
Total Number of Articles : 303
PubChem 439302
Molecular Formula

C43H66N12O12S2

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

InChI

InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

synonyms
  • OXYTOCIN
  • 50-56-6
  • Pitocin
Click to show/hide the synonyms
Properties
Property Value
MW 1007.2 g/mol
HBD 12
HBA 15
Rotatable Bond Count 17
Exact Mass 1006.43645793 g/mol
Monoisotopic Mass 1006.43645793 g/mol
Heavy Atom Count 69
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1870
xlogp -2.6
Topological Polar Surface Area 450