HXB2 GAG NO 66_Chemical Cloud Database

HXB2 GAG NO 66

Basic Information
Product Name：	HXB2 GAG NO 66
English Synonyms：	H-ILE-TYR-LYS-ARG-TRP-ILE-ILE-LEU-GLY-LEU-ASN-LYS-ILE-VAL-ARG-OH ; HXB2 GAG NO 66 ; IYKRWIILGLNKIVR
MDL Number.：	MFCD03790542
H bond acceptor：	43
H bond donor：	27
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
InChi：	InChI=1S/C91H153N25O18/c1-15-51(11)71(95)84(128)111-66(43-55-33-35-57(117)36-34-55)81(125)106-60(29-21-23-37-92)77(121)105-62(31-25-39-100-90(96)97)78(122)109-67(44-56-46-102-59-28-20-19-27-58(56)59)83(127)115-75(54(14)18-4)88(132)116-73(52(12)16-2)86(130)112-64(41-48(5)6)76(120)103-47-70(119)104-65(42-49(7)8)80(124)110-68(45-69(94)118)82(126)107-61(30-22-24-38-93)79(123)114-74(53(13)17-3)87(131)113-72(50(9)10)85(129)108-63(89(133)134)32-26-40-101-91(98)99/h19-20,27-28,33-36,46,48-54,60-68,71-75,102,117H,15-18,21-26,29-32,37-45,47,92-93,95H2,1-14H3,(H2,94,118)(H,103,120)(H,104,119)(H,105,121)(H,106,125)(H,107,126)(H,108,129)(H,109,122)(H,110,124)(H,111,128)(H,112,130)(H,113,131)(H,114,123)(H,115,127)(H,116,132)(H,133,134)(H4,96,97,100)(H4,98,99,101)/t51-,52-,53-,54-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-,72-,73-,74-,75-/m0/s1
InChiKey：	InChIKey=IGGPMRGIFNXTPH-BIUVZJKVSA-N

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