[D-Trp2]galanin-(1-29)   Click here for help

GtoPdb Ligand ID: 3866

Synonyms: [D-Trp2]galanin(1-29)
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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)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O
Isomeric SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChI InChI=1S/C136H205N41O41/c1-64(2)38-83(162-119(201)85(40-66(5)6)163-121(203)87(43-74-31-33-78(183)34-32-74)158-104(188)55-148-112(194)69(11)154-129(211)96(59-178)172-125(207)94(49-102(141)186)167-120(202)86(41-67(7)8)170-134(216)110(71(13)181)175-128(210)89(156-103(187)51-138)44-75-52-147-80-27-19-18-26-79(75)80)114(196)151-58-107(191)177-37-23-30-99(177)132(214)169-90(45-76-53-144-62-152-76)118(200)155-70(12)113(195)174-109(68(9)10)133(215)150-57-106(190)159-93(48-101(140)185)124(206)165-91(46-77-54-145-63-153-77)123(205)161-82(29-22-36-146-136(142)143)117(199)171-97(60-179)130(212)164-88(42-73-24-16-15-17-25-73)122(204)173-98(61-180)131(213)168-95(50-108(192)193)126(208)160-81(28-20-21-35-137)116(198)166-92(47-100(139)184)115(197)149-56-105(189)157-84(39-65(3)4)127(209)176-111(72(14)182)135(217)218/h15-19,24-27,31-34,52-54,62-72,81-99,109-111,147,178-183H,20-23,28-30,35-51,55-61,137-138H2,1-14H3,(H2,139,184)(H2,140,185)(H2,141,186)(H,144,152)(H,145,153)(H,148,194)(H,149,197)(H,150,215)(H,151,196)(H,154,211)(H,155,200)(H,156,187)(H,157,189)(H,158,188)(H,159,190)(H,160,208)(H,161,205)(H,162,201)(H,163,203)(H,164,212)(H,165,206)(H,166,198)(H,167,202)(H,168,213)(H,169,214)(H,170,216)(H,171,199)(H,172,207)(H,173,204)(H,174,195)(H,175,210)(H,176,209)(H,192,193)(H,217,218)(H4,142,143,146)/t69-,70-,71+,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,109-,110-,111-/m0/s1
InChI Key YWWOWEJNZKADMM-INAUZTMPSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[D-Trp2]galanin(1-29)
Database Links Click here for help
GtoPdb PubChem SID 178100704
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