Basic Information |
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| Product Name： | SIVMAC239 ENVELOPE-82 |
| English Synonyms： | SIVMAC239 ENVELOPE-82 ; H-ARG-ILE-ARG-GLU-VAL-LEU-ARG-THR-GLU-LEU-THR-TYR-LEU-GLN-TYR-GLY-TRP-SER-TYR-PHE-OH ; RIREVLRTELTYLQYGWSYF |
| MDL Number.： | MFCD03790851 |
| H bond acceptor： | 63 |
| H bond donor： | 40 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)N[C@@H](Cc6ccccc6)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)N |
| InChi： | InChI=1S/C122H181N31O32/c1-13-65(10)98(151-101(166)77(123)25-19-47-131-120(125)126)116(181)140-79(27-20-48-132-121(127)128)103(168)138-83(43-46-96(164)165)107(172)150-97(64(8)9)115(180)146-85(51-62(4)5)109(174)137-80(28-21-49-133-122(129)130)106(171)152-99(66(11)155)117(182)141-82(42-45-95(162)163)105(170)142-86(52-63(6)7)113(178)153-100(67(12)156)118(183)147-89(55-71-33-39-75(159)40-34-71)110(175)143-84(50-61(2)3)108(173)139-81(41-44-93(124)160)104(169)144-87(53-69-29-35-73(157)36-30-69)102(167)135-59-94(161)136-90(57-72-58-134-78-26-18-17-24-76(72)78)112(177)149-92(60-154)114(179)145-88(54-70-31-37-74(158)38-32-70)111(176)148-91(119(184)185)56-68-22-15-14-16-23-68/h14-18,22-24,26,29-40,58,61-67,77,79-92,97-100,134,154-159H,13,19-21,25,27-28,41-57,59-60,123H2,1-12H3,(H2,124,160)(H,135,167)(H,136,161)(H,137,174)(H,138,168)(H,139,173)(H,140,181)(H,141,182)(H,142,170)(H,143,175)(H,144,169)(H,145,179)(H,146,180)(H,147,183)(H,148,176)(H,149,177)(H,150,172)(H,151,166)(H,152,171)(H,153,178)(H,162,163)(H,164,165)(H,184,185)(H4,125,126,131)(H4,127,128,132)(H4,129,130,133)/t65-,66+,67+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m0/s1 |
| InChiKey： | InChIKey=NVQNWGVLOJGTPP-SGIYNSOYSA-N |
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