CGEN-856   Click here for help

GtoPdb Ligand ID: 7041

Synonyms: P61
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCCN)Cc1ccccc1)C)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)CS)Cc1ccc(cc1)O)CC(C)C)CC(=O)N)CCCN=C(N)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI InChI=1S/C135H217N45O32S/c1-10-74(8)107(179-125(207)100(70-213)178-121(203)94(63-78-41-45-80(181)46-42-78)161-103(184)68-159-111(193)91(58-71(2)3)172-109(191)82(138)61-76-28-13-11-14-29-76)127(209)176-96(64-79-43-47-81(182)48-44-79)123(205)174-93(60-73(6)7)120(202)175-97(65-102(139)183)124(206)170-88(37-24-54-155-133(146)147)116(198)164-84(32-17-19-49-136)112(194)165-86(35-22-52-153-131(142)143)114(196)163-83(34-21-51-152-130(140)141)110(192)158-69-104(185)162-98(66-105(186)187)128(210)180-57-27-40-101(180)126(208)160-75(9)108(190)171-95(62-77-30-15-12-16-31-77)122(204)168-85(33-18-20-50-137)113(195)166-87(36-23-53-154-132(144)145)115(197)167-89(38-25-55-156-134(148)149)117(199)173-92(59-72(4)5)119(201)169-90(39-26-56-157-135(150)151)118(200)177-99(129(211)212)67-106(188)189/h11-16,28-31,41-48,71-75,82-101,107,181-182,213H,10,17-27,32-40,49-70,136-138H2,1-9H3,(H2,139,183)(H,158,192)(H,159,193)(H,160,208)(H,161,184)(H,162,185)(H,163,196)(H,164,198)(H,165,194)(H,166,195)(H,167,197)(H,168,204)(H,169,201)(H,170,206)(H,171,190)(H,172,191)(H,173,199)(H,174,205)(H,175,202)(H,176,209)(H,177,200)(H,178,203)(H,179,207)(H,186,187)(H,188,189)(H,211,212)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-/m0/s1
InChI Key SNXBDZJJBKGJKY-CBQXUBDJSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
P61
Database Links Click here for help
GtoPdb PubChem SID 178103620
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