Pro_Molecular_Structure:
pro_cdbregno:CCD00416774
SIVMAC239-62
pro_formula:C87 H132 N24 O24 S
pro_molWeight:1930.21
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| Product_Name： | SIVMAC239-62 |
| EnglishSynonyms： | SIVMAC239-62 ; EQIQWMYRQQNPIPV ; H-GLU-GLN-ILE-GLN-TRP-MET-TYR-ARG-GLN-GLN-ASN-PRO-ILE-PRO-VAL-OH |
| pro_mdlNumber： | MFCD03790708 |
| pro_acceptors： | 48 |
| pro_donors： | 25 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N |
| InChi： | InChI=1S/C87H132N24O24S/c1-8-44(5)70(108-78(126)56(28-32-66(92)116)98-72(120)50(88)24-33-68(118)119)83(131)103-55(27-31-65(91)115)75(123)105-59(40-47-42-97-51-16-11-10-15-49(47)51)80(128)102-57(34-38-136-7)77(125)104-58(39-46-20-22-48(112)23-21-46)79(127)99-52(17-12-35-96-87(94)95)73(121)100-53(25-29-63(89)113)74(122)101-54(26-30-64(90)114)76(124)106-60(41-67(93)117)84(132)110-36-13-18-61(110)82(130)109-71(45(6)9-2)85(133)111-37-14-19-62(111)81(129)107-69(43(3)4)86(134)135/h10-11,15-16,20-23,42-45,50,52-62,69-71,97,112H,8-9,12-14,17-19,24-41,88H2,1-7H3,(H2,89,113)(H2,90,114)(H2,91,115)(H2,92,116)(H2,93,117)(H,98,120)(H,99,127)(H,100,121)(H,101,122)(H,102,128)(H,103,131)(H,104,125)(H,105,123)(H,106,124)(H,107,129)(H,108,126)(H,109,130)(H,118,119)(H,134,135)(H4,94,95,96)/t44-,45-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-/m0/s1 |
| InChiKey： | InChIKey=IQQUUMKOBKFTHA-ZOHGGDMLSA-N |
basic_info
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