SIVMAC239 ENVELOPE-86

CAS No.
CCD No.
CCD00416921
Formula
C113 H185 N37 O26
MolWeight
2477.94

Basic Information

Product Name: SIVMAC239 ENVELOPE-86
English Synonyms: DLWETLRRGGRWILAIPRRI ; SIVMAC239 ENVELOPE-86 ; H-ASP-LEU-TRP-GLU-THR-LEU-ARG-ARG-GLY-GLY-ARG-TRP-ILE-LEU-ALA-ILE-PRO-ARG-ARG-ILE-OH
MDL Number.: MFCD03790855
H bond acceptor: 63
H bond donor: 40
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C113H185N37O26/c1-15-59(10)87(105(172)144-77(46-56(4)5)99(166)134-62(13)91(158)147-88(60(11)16-2)107(174)150-45-27-37-82(150)104(171)140-74(35-25-43-128-112(121)122)96(163)137-75(36-26-44-129-113(123)124)97(164)148-89(108(175)176)61(12)17-3)146-103(170)81(50-65-53-131-70-31-21-19-29-67(65)70)142-94(161)72(33-23-41-126-110(117)118)135-84(153)55-132-83(152)54-133-93(160)71(32-22-40-125-109(115)116)136-95(162)73(34-24-42-127-111(119)120)138-100(167)79(48-58(8)9)145-106(173)90(63(14)151)149-98(165)76(38-39-85(154)155)139-102(169)80(49-64-52-130-69-30-20-18-28-66(64)69)143-101(168)78(47-57(6)7)141-92(159)68(114)51-86(156)157/h18-21,28-31,52-53,56-63,68,71-82,87-90,130-131,151H,15-17,22-27,32-51,54-55,114H2,1-14H3,(H,132,152)(H,133,160)(H,134,166)(H,135,153)(H,136,162)(H,137,163)(H,138,167)(H,139,169)(H,140,171)(H,141,159)(H,142,161)(H,143,168)(H,144,172)(H,145,173)(H,146,170)(H,147,158)(H,148,164)(H,149,165)(H,154,155)(H,156,157)(H,175,176)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t59-,60-,61-,62-,63+,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-,88-,89-,90-/m0/s1
InChiKey: InChIKey=HCZFVMKYTNKWDM-IQKDNMFUSA-N

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