AC-D-TRP-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU-OL

pro_cas
pro_cdbregno
CCD00516983
pro_formula
C77 H127 N19 O19
pro_molWeight
1622.96

basic_info

Product_Name: AC-D-TRP-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU-OL
EnglishSynonyms: AC-D-TRP-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU-OL ; [D-TRP1] AMPULLOSPORIN A
pro_mdlNumber: MFCD06200408
pro_acceptors: 38
pro_donors: 20
pro_smile: CC(C)C[C@@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)C
InChi: InChI=1S/C77H127N19O19/c1-39(2)33-45(38-97)84-58(103)48(27-30-54(78)99)86-64(109)71(9,10)92-62(107)51(34-40(3)4)85-59(104)49(28-31-55(79)100)87-66(111)73(13,14)95-70(115)77(21,22)96-69(114)76(19,20)91-61(106)50(29-32-56(80)101)88-65(110)72(11,12)93-63(108)52(35-41(5)6)89-67(112)74(15,16)94-68(113)75(17,18)90-57(102)42(7)82-60(105)53(83-43(8)98)36-44-37-81-47-26-24-23-25-46(44)47/h23-26,37,39-42,45,48-53,81,97H,27-36,38H2,1-22H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,105)(H,83,98)(H,84,103)(H,85,104)(H,86,109)(H,87,111)(H,88,110)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)(H,95,115)(H,96,114)/t42-,45-,48-,49-,50-,51-,52-,53+/m0/s1
InChiKey: InChIKey=QXMNSBVEOAGSSK-QPJXLTIZSA-N

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