C7   Click here for help

GtoPdb Ligand ID: 3861

Synonyms: galanin(1-13)spantide
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(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)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCC(=O)N)NC(=O)C1CCCN1C(=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)CCCN=C(N)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)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(=O)O
InChI InChI=1S/C138H198N34O31/c1-72(2)54-95(159-121(186)96(55-73(3)4)160-124(189)99(60-80-41-43-84(175)44-42-80)154-114(180)69-150-117(182)77(11)152-130(195)106(71-173)168-128(193)104(64-112(143)178)165-122(187)98(57-75(7)8)166-134(199)116(78(12)174)169-129(194)101(153-113(179)65-140)61-81-66-147-88-33-19-16-30-85(81)88)118(183)151-70-115(181)170-51-25-38-107(170)131(196)158-94(37-24-50-146-138(144)145)136(201)172-53-27-40-109(172)133(198)157-93(36-22-23-49-139)135(200)171-52-26-39-108(171)132(197)156-92(46-48-111(142)177)119(184)155-91(45-47-110(141)176)120(185)163-102(62-82-67-148-89-34-20-17-31-86(82)89)127(192)162-100(59-79-28-14-13-15-29-79)125(190)164-103(63-83-68-149-90-35-21-18-32-87(83)90)126(191)161-97(56-74(5)6)123(188)167-105(137(202)203)58-76(9)10/h13-21,28-35,41-44,66-68,72-78,91-109,116,147-149,173-175H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,176)(H2,142,177)(H2,143,178)(H,150,182)(H,151,183)(H,152,195)(H,153,179)(H,154,180)(H,155,184)(H,156,197)(H,157,198)(H,158,196)(H,159,186)(H,160,189)(H,161,191)(H,162,192)(H,163,185)(H,164,190)(H,165,187)(H,166,199)(H,167,188)(H,168,193)(H,169,194)(H,202,203)(H4,144,145,146)/t77-,78+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,116-/m0/s1
InChI Key LMKCQJDUNDMDCV-IQXDOVLOSA-N
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Compound class Peptide or derivative
Synonyms Click here for help
galanin(1-13)spantide
Database Links Click here for help
GtoPdb PubChem SID 178100700
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