CXCL12-(1-17)   Click here for help

GtoPdb Ligand ID: 846

Synonyms: CXCL12, 1-17 | SDF-1, 1-17 | stromal cell-derived factor-1, N-terminal fragment
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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)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CO)CCC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CS)CS)CCCN=C(N)N)Cc1ccc(cc1)O)CO)CC(C)C)CO)C(C)C)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
InChI InChI=1S/C92H138N26O24S2/c1-49(2)37-60(106-82(133)67(45-121)113-87(138)73(50(3)4)116-86(137)71-25-15-35-117(71)88(139)56(94)21-11-12-32-93)77(128)112-65(43-119)81(132)109-63(40-53-26-28-55(122)29-27-53)78(129)103-58(23-14-34-101-92(97)98)75(126)115-69(47-144)89(140)118-36-16-24-70(118)85(136)114-68(46-143)84(135)104-57(22-13-33-100-91(95)96)74(125)107-62(39-52-19-9-6-10-20-52)80(131)108-61(38-51-17-7-5-8-18-51)79(130)105-59(30-31-72(123)124)76(127)111-66(44-120)83(134)110-64(90(141)142)41-54-42-99-48-102-54/h5-10,17-20,26-29,42,48-50,56-71,73,119-122,143-144H,11-16,21-25,30-41,43-47,93-94H2,1-4H3,(H,99,102)(H,103,129)(H,104,135)(H,105,130)(H,106,133)(H,107,125)(H,108,131)(H,109,132)(H,110,134)(H,111,127)(H,112,128)(H,113,138)(H,114,136)(H,115,126)(H,116,137)(H,123,124)(H,141,142)(H4,95,96,100)(H4,97,98,101)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1
InChI Key UQMATGKUTLWKOZ-DMVRXRCYSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
CXCL12, 1-17 | SDF-1, 1-17 | stromal cell-derived factor-1, N-terminal fragment
Database Links Click here for help
GtoPdb PubChem SID 135652069
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