Cas no 550-21-0 ((Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond))

(Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond) structure
550-21-0 structure
Product Name:(Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond)
CAS No:550-21-0
MF:C41H63N11O12S2
MW:966.13542675972
MDL:MFCD00076734
CID:369583
PubChem ID:10486087
Update Time:2025-04-19

(Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond) Chemical and Physical Properties

Names and Identifiers

    • Oxytocin,4-L-serine-8-L-isoleucine-
    • (SER4,ILE8)-OXYTOCIN
    • (Ser4,Ile8)-Oxytocin, Isotocin
    • [Ser4,Ile8]-Oxytocin
    • ISOTOCIN
    • [4-Serine,8-Isoleucine]Oxytocin,[Ser4,Ile8]Oxytocin,Isotocin
    • 4-L-serine-8-L-isoleucineoxytocin
    • CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2
    • H-CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2
    • Ichthyotocin
    • L-Cys(1)-L-Tyr-L-Ile-L-Ser-L-Asn-L-Cys(1)-L-Pro-L-Ile-Gly-NH2
    • (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
    • PD070416
    • CHEMBL4539436
    • CS-0646283
    • DTXSID50873488
    • MFCD00076734
    • 550-21-0
    • HY-P4184
    • CHEBI:230044
    • DA-48898
    • (Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond)
    • MDL: MFCD00076734
    • Inchi: 1S/C41H63N11O12S2/c1-5-20(3)32(39(62)45-16-31(44)56)51-38(61)29-8-7-13-52(29)41(64)28-19-66-65-18-24(42)34(57)46-25(14-22-9-11-23(54)12-10-22)36(59)50-33(21(4)6-2)40(63)48-27(17-53)37(60)47-26(15-30(43)55)35(58)49-28/h9-12,20-21,24-29,32-33,53-54H,5-8,13-19,42H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,62)(H,46,57)(H,47,60)(H,48,63)(H,49,58)(H,50,59)(H,51,61)/t20-,21-,24-,25-,26-,27-,28-,29-,32-,33-/m0/s1
    • InChI Key: XMINXPSYULINQV-XPLLYYSMSA-N
    • SMILES: S1C[C@@H](C(N2CCC[C@H]2C(N[C@H](C(NCC(N)=O)=O)[C@@H](C)CC)=O)=O)NC([C@H](CC(N)=O)NC([C@H](CO)NC([C@H]([C@@H](C)CC)NC([C@H](CC2C=CC(=CC=2)O)NC([C@H](CS1)N)=O)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 965.41000
  • Monoisotopic Mass: 965.40990883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 18
  • Complexity: 1760
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.9
  • Topological Polar Surface Area: 427?2

Experimental Properties

  • PSA: 427.27000
  • LogP: 0.58280

(Ser4,Ile8)-Oxytocin H-Cys-Tyr-Ile-Ser-Asn-Cys-Pro-Ile-Gly-NH2 (Disulfide bond) Pricemore >>

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