Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B1SY2R
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| Binder Name |
Oxytocin acetate
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| Synonyms |
6233-83-6 (acetate); Oxytocin, monoacetate (salt); UNII-4NR672T8NL; EINECS 228-347-5; Orasthin; Ossitocina; C43H66N12O12S2.C2H4O2; NCGC00166145-02; DSSTox_CID_26552; DSSTox_RID_81713; DSSTox_GSID_46552; 4NR672T8NL; SCHEMBL2126148; CHEMBL3185709; DTXSID1046552; Tox21_112339; 3955AH; CCG-270627; 3-Isoleucine-8-leucine-vasopressin acetate; Q27260257
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C45H70N12O14S2
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| Canonical 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.CC(=O)O
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| InChI |
1S/C43H66N12O12S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35-;/m0./s1
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| InChIKey |
DSZOEVVLZMNAEH-BXUJZNQYSA-N
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| PubChem Compound ID | ||||
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