SIVMAC239 GAG-47

pro_cas
pro_cdbregno
CCD00416710
pro_formula
C101 H162 N26 O32 S
pro_molWeight
2284.61

basic_info

Product_Name: SIVMAC239 GAG-47
EnglishSynonyms: H-PRO-PRO-GLU-ASP-PRO-ALA-VAL-ASP-LEU-LEU-LYS-ASN-TYR-MET-GLN-LEU-GLY-LYS-GLN-GLN-OH ; SIVMAC239 GAG-47 ; PPEDPAVDLLKNYMQLGKQQ
pro_mdlNumber: MFCD03790644
pro_acceptors: 58
pro_donors: 29
pro_smile: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4
InChi: InChI=1S/C101H162N26O32S/c1-50(2)42-65(84(141)109-49-78(133)111-57(18-11-13-36-102)85(142)113-59(27-31-74(104)129)87(144)117-64(101(158)159)29-33-76(106)131)118-88(145)60(28-32-75(105)130)114-90(147)62(35-41-160-10)115-93(150)68(45-55-23-25-56(128)26-24-55)121-94(151)69(46-77(107)132)122-86(143)58(19-12-14-37-103)112-91(148)66(43-51(3)4)119-92(149)67(44-52(5)6)120-95(152)70(47-80(136)137)123-98(155)82(53(7)8)125-83(140)54(9)110-96(153)72-21-16-40-127(72)100(157)71(48-81(138)139)124-89(146)61(30-34-79(134)135)116-97(154)73-22-17-39-126(73)99(156)63-20-15-38-108-63/h23-26,50-54,57-73,82,108,128H,11-22,27-49,102-103H2,1-10H3,(H2,104,129)(H2,105,130)(H2,106,131)(H2,107,132)(H,109,141)(H,110,153)(H,111,133)(H,112,148)(H,113,142)(H,114,147)(H,115,150)(H,116,154)(H,117,144)(H,118,145)(H,119,149)(H,120,152)(H,121,151)(H,122,143)(H,123,155)(H,124,146)(H,125,140)(H,134,135)(H,136,137)(H,138,139)(H,158,159)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,82-/m0/s1
InChiKey: InChIKey=QSFOZGMJLBSWKX-KNTAMRIUSA-N

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