GP140 (221-240)

CAS No.
CCD No.
CCD00118598
Formula
C119 H166 N32 O32 S2
MolWeight
2620.94

Basic Information

Product Name: GP140 (221-240)
English Synonyms: GP140 (221-240) ; SER-CYS(ACM)-ASP-LYS-HIS-TYR-TRP-ASP-THR-ILE-ARG-PHE-ARG-TYR-CYS(ACM)-ALA-PRO-PRO-GLY-TYR
MDL Number.: MFCD00273898
H bond acceptor: 64
H bond donor: 37
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](Cc8ccc(cc8)O)NC(=O)[C@H](Cc9c[nH]cn9)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@H](CO)N
InChi: InChI=1S/C119H166N32O32S2/c1-7-62(2)97(148-114(179)98(64(4)153)149-109(174)88(52-96(162)163)144-106(171)85(49-71-53-129-78-22-12-11-21-76(71)78)142-104(169)83(46-68-28-34-73(156)35-29-68)141-107(172)86(50-72-54-126-59-131-72)143-100(165)79(23-13-14-40-120)136-108(173)87(51-95(160)161)145-111(176)91(58-185-61-133-66(6)155)146-99(164)77(121)56-152)113(178)138-81(25-16-42-128-119(124)125)102(167)139-82(45-67-19-9-8-10-20-67)103(168)137-80(24-15-41-127-118(122)123)101(166)140-84(47-69-30-36-74(157)37-31-69)105(170)147-90(57-184-60-132-65(5)154)110(175)134-63(3)115(180)151-44-18-27-93(151)116(181)150-43-17-26-92(150)112(177)130-55-94(159)135-89(117(182)183)48-70-32-38-75(158)39-33-70/h8-12,19-22,28-39,53-54,59,62-64,77,79-93,97-98,129,152-153,156-158H,7,13-18,23-27,40-52,55-58,60-61,120-121H2,1-6H3,(H,126,131)(H,130,177)(H,132,154)(H,133,155)(H,134,175)(H,135,159)(H,136,173)(H,137,168)(H,138,178)(H,139,167)(H,140,166)(H,141,172)(H,142,169)(H,143,165)(H,144,171)(H,145,176)(H,146,164)(H,147,170)(H,148,179)(H,149,174)(H,160,161)(H,162,163)(H,182,183)(H4,122,123,127)(H4,124,125,128)/t62-,63-,64+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,97-,98-/m0/s1
InChiKey: InChIKey=GYOMOTOKOQKROA-RGCYHATLSA-N

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