SIVMAC239-45

pro_cas
pro_cdbregno
CCD00416758
pro_formula
C71 H112 N18 O26 S2
pro_molWeight
1697.9

basic_info

Product_Name: SIVMAC239-45
EnglishSynonyms: SIVMAC239-45 ; LSEGCTPYDINQMLN ; H-LEU-SER-GLU-GLY-CYS-THR-PRO-TYR-ASP-ILE-ASN-GLN-MET-LEU-ASN-OH
pro_mdlNumber: MFCD03790692
pro_acceptors: 44
pro_donors: 23
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N
InChi: InChI=1S/C71H112N18O26S2/c1-9-34(6)56(69(112)84-44(26-51(74)94)64(107)79-40(16-18-50(73)93)60(103)80-41(20-22-117-8)61(104)81-42(24-33(4)5)62(105)85-46(71(114)115)27-52(75)95)87-65(108)45(28-55(99)100)82-63(106)43(25-36-12-14-37(92)15-13-36)83-68(111)49-11-10-21-89(49)70(113)57(35(7)91)88-67(110)48(31-116)77-53(96)29-76-59(102)39(17-19-54(97)98)78-66(109)47(30-90)86-58(101)38(72)23-32(2)3/h12-15,32-35,38-49,56-57,90-92,116H,9-11,16-31,72H2,1-8H3,(H2,73,93)(H2,74,94)(H2,75,95)(H,76,102)(H,77,96)(H,78,109)(H,79,107)(H,80,103)(H,81,104)(H,82,106)(H,83,111)(H,84,112)(H,85,105)(H,86,101)(H,87,108)(H,88,110)(H,97,98)(H,99,100)(H,114,115)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1
InChiKey: InChIKey=NBVJGPMBVMRQDF-TUMINAFOSA-N

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