Molecular Structure:
CCD No.:CCD00118342
GAG P24 CA (69-86)
Formula:C94 H146 N26 O31
MolWeight:2136.34
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| Product Name： | GAG P24 CA (69-86) |
| English Synonyms： | GAG P24 CA (69-86) ; LEU-LYS-GLU-THR-ILE-ASN-GLU-GLU-ALA-ALA-GLU-TRP-ASP-ARG-VAL-HIS-PRO-VAL ; P25 (201-218) |
| MDL Number.： | MFCD00273640 |
| H bond acceptor： | 57 |
| H bond donor： | 31 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N |
| InChi： | InChI=1S/C94H146N26O31/c1-12-46(8)74(118-91(148)75(49(11)121)119-84(141)60(27-31-70(129)130)110-80(137)55(21-15-16-32-95)107-78(135)53(96)35-43(2)3)90(147)114-62(38-66(97)122)86(143)111-59(26-30-69(127)128)81(138)109-57(24-28-67(123)124)79(136)105-47(9)76(133)104-48(10)77(134)106-58(25-29-68(125)126)82(139)112-61(36-50-40-102-54-20-14-13-19-52(50)54)85(142)113-63(39-71(131)132)87(144)108-56(22-17-33-101-94(98)99)83(140)116-72(44(4)5)89(146)115-64(37-51-41-100-42-103-51)92(149)120-34-18-23-65(120)88(145)117-73(45(6)7)93(150)151/h13-14,19-20,40-49,53,55-65,72-75,102,121H,12,15-18,21-39,95-96H2,1-11H3,(H2,97,122)(H,100,103)(H,104,133)(H,105,136)(H,106,134)(H,107,135)(H,108,144)(H,109,138)(H,110,137)(H,111,143)(H,112,139)(H,113,142)(H,114,147)(H,115,146)(H,116,140)(H,117,145)(H,118,148)(H,119,141)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,98,99,101)/t46-,47-,48-,49+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-,75-/m0/s1 |
| InChiKey： | InChIKey=CCIZNAGOKUWPRC-NAZWMZOVSA-N |
Basic Information
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