Basic Information |
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Product Name: | GIHIGPGKAFYTT |
English Synonyms: | GIHIGPGKAFYTT ; V3 GP120 HIV (WM) |
MDL Number.: | MFCD11113668 |
H bond acceptor: | 33 |
H bond donor: | 18 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CN |
InChi: | InChI=1S/C64H96N16O17/c1-8-34(3)51(77-59(91)46(28-41-30-67-33-70-41)75-62(94)52(35(4)9-2)76-48(84)29-66)61(93)69-32-50(86)80-25-15-19-47(80)60(92)68-31-49(85)72-43(18-13-14-24-65)56(88)71-36(5)55(87)73-44(26-39-16-11-10-12-17-39)57(89)74-45(27-40-20-22-42(83)23-21-40)58(90)78-53(37(6)81)63(95)79-54(38(7)82)64(96)97/h10-12,16-17,20-23,30,33-38,43-47,51-54,81-83H,8-9,13-15,18-19,24-29,31-32,65-66H2,1-7H3,(H,67,70)(H,68,92)(H,69,93)(H,71,88)(H,72,85)(H,73,87)(H,74,89)(H,75,94)(H,76,84)(H,77,91)(H,78,90)(H,79,95)(H,96,97)/t34-,35-,36-,37+,38+,43-,44-,45-,46-,47-,51-,52-,53-,54-/m0/s1 |
InChiKey: | InChIKey=MCNHEBVKMNIWAV-QMEALFHBSA-N |
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