basic_info |
|
| Product_Name: | HXB2 GAG NO 31/AA121-135 |
| EnglishSynonyms: | DTGHSNQVSQNYPIV ; H-ASP-THR-GLY-HIS-SER-ASN-GLN-VAL-SER-GLN-ASN-TYR-PRO-ILE-VAL-OH ; HXB2 GAG NO 31/AA121-135 |
| pro_mdlNumber: | MFCD03790507 |
| pro_acceptors: | 47 |
| pro_donors: | 25 |
| pro_smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N |
| InChi: | InChI=1S/C71H109N21O26/c1-9-32(6)55(68(114)88-54(31(4)5)71(117)118)89-65(111)46-11-10-20-92(46)70(116)44(21-35-12-14-37(96)15-13-35)85-62(108)42(24-49(75)99)83-59(105)39(16-18-47(73)97)82-64(110)45(28-93)86-67(113)53(30(2)3)87-60(106)40(17-19-48(74)98)81-61(107)43(25-50(76)100)84-69(115)57(34(8)95)91-63(109)41(22-36-26-77-29-79-36)80-51(101)27-78-66(112)56(33(7)94)90-58(104)38(72)23-52(102)103/h12-15,26,29-34,38-46,53-57,93-96H,9-11,16-25,27-28,72H2,1-8H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,100)(H,77,79)(H,78,112)(H,80,101)(H,81,107)(H,82,110)(H,83,105)(H,84,115)(H,85,108)(H,86,113)(H,87,106)(H,88,114)(H,89,111)(H,90,104)(H,91,109)(H,102,103)(H,117,118)/t32-,33+,34+,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-,55-,56-,57-/m0/s1 |
| InChiKey: | InChIKey=VUSARKWIHCBKLP-KXZKWNLQSA-N |
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