ISOTOCIN ,550-21-0 _Chemical Cloud Database

ISOTOCIN

Basic Information
Product Name：	ISOTOCIN
CAS：	550-21-0
English Synonyms：	CYISNCPIG-NH2 ; (SER4,ILE8)-OXYTOCIN ; CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2 ; H-CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2 (DISULFIDE BOND) ; ISOTOCIN
MDL Number.：	MFCD00076734
H bond acceptor：	23
H bond donor：	12
Smile：	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)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N)CC(=O)N)CO
InChi：	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
InChiKey：	InChIKey=XMINXPSYULINQV-XPLLYYSMSA-N
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