HXB2 GAG NO 19/AA73-87_化学云数据库

HXB2 GAG NO 19/AA73-87

基本信息
产品名称：	HXB2 GAG NO 19/AA73-87
英文同义词：	HXB2 GAG NO 19/AA73-87 ; EELRSLYNTVATLYC ; H-GLU-GLU-LEU-ARG-SER-LEU-TYR-ASN-THR-VAL-ALA-THR-LEU-TYR-CYS-OH
MDL号：	MFCD03790495
氢键受体数量：	45
氢键供体数量：	27
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
InChi：	InChI=1S/C78H123N19O26S/c1-35(2)27-49(87-66(111)48(23-25-59(106)107)85-64(109)46(79)22-24-58(104)105)67(112)86-47(13-12-26-83-78(81)82)65(110)93-55(33-98)73(118)88-50(28-36(3)4)68(113)89-52(30-42-14-18-44(101)19-15-42)70(115)91-54(32-57(80)103)72(117)97-62(41(11)100)76(121)95-60(38(7)8)74(119)84-39(9)63(108)96-61(40(10)99)75(120)92-51(29-37(5)6)69(114)90-53(31-43-16-20-45(102)21-17-43)71(116)94-56(34-124)77(122)123/h14-21,35-41,46-56,60-62,98-102,124H,12-13,22-34,79H2,1-11H3,(H2,80,103)(H,84,119)(H,85,109)(H,86,112)(H,87,111)(H,88,118)(H,89,113)(H,90,114)(H,91,115)(H,92,120)(H,93,110)(H,94,116)(H,95,121)(H,96,108)(H,97,117)(H,104,105)(H,106,107)(H,122,123)(H4,81,82,83)/t39-,40+,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-,62-/m0/s1
InChiKey：	InChIKey=MFQZLTGSFNRHKI-WLADSLAWSA-N

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