ARG-TRP-LYS-ILE-PHE-LYS-LYS-ILE-GLU-LYS-MET-GLY-GLY-SER-TYR-CYS-ASN-ARG-ARG-THR-GLY-LYS-CYS-GLN-ARG-MET

CAS No.
CCD No.
CCD00824538
Formula
C138 H230 N46 O34 S4
MolWeight
3205.89

Basic Information

Product Name: ARG-TRP-LYS-ILE-PHE-LYS-LYS-ILE-GLU-LYS-MET-GLY-GLY-SER-TYR-CYS-ASN-ARG-ARG-THR-GLY-LYS-CYS-GLN-ARG-MET
English Synonyms: ARG-TRP-LYS-ILE-PHE-LYS-LYS-ILE-GLU-LYS-MET-GLY-GLY-SER-TYR-CYS-ASN-ARG-ARG-THR-GLY-LYS-CYS-GLN-ARG-MET ; CB-TH
MDL Number.: MFCD09842096
H bond acceptor: 80
H bond donor: 51
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C138H230N46O34S4/c1-8-74(3)109(182-121(204)87(37-18-23-55-142)166-115(198)86(36-17-22-54-141)169-124(207)97(63-77-29-11-10-12-30-77)179-133(216)110(75(4)9-2)183-122(205)88(38-19-24-56-143)170-126(209)98(65-79-67-159-83-33-14-13-31-81(79)83)176-112(195)82(144)32-25-57-155-135(147)148)132(215)174-93(47-49-108(193)194)120(203)165-85(35-16-21-53-140)116(199)173-94(50-61-221-6)113(196)161-68-105(190)160-69-106(191)164-100(71-185)128(211)177-96(64-78-42-44-80(187)45-43-78)125(208)181-102(73-220)130(213)178-99(66-104(146)189)127(210)171-89(39-26-58-156-136(149)150)117(200)168-91(41-28-60-158-138(153)154)123(206)184-111(76(5)186)131(214)162-70-107(192)163-84(34-15-20-52-139)114(197)180-101(72-219)129(212)172-92(46-48-103(145)188)119(202)167-90(40-27-59-157-137(151)152)118(201)175-95(134(217)218)51-62-222-7/h10-14,29-31,33,42-45,67,74-76,82,84-102,109-111,159,185-187,219-220H,8-9,15-28,32,34-41,46-66,68-73,139-144H2,1-7H3,(H2,145,188)(H2,146,189)(H,160,190)(H,161,196)(H,162,214)(H,163,192)(H,164,191)(H,165,203)(H,166,198)(H,167,202)(H,168,200)(H,169,207)(H,170,209)(H,171,210)(H,172,212)(H,173,199)(H,174,215)(H,175,201)(H,176,195)(H,177,211)(H,178,213)(H,179,216)(H,180,197)(H,181,208)(H,182,204)(H,183,205)(H,184,206)(H,193,194)(H,217,218)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t74-,75-,76+,82-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,109-,110-,111-/m0/s1
InChiKey: InChIKey=XGQUPXHJTHBJKC-AVBJTEGNSA-N

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