T140   Click here for help

GtoPdb Ligand ID: 853

Synonyms: [L-3-(2-naphthyl)-alanine3]-T134
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(C(=O)O)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2
Isomeric SMILES NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2
InChI InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1
InChI Key IMOHHNXUCDZLKM-ADZSTZGASA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[L-3-(2-naphthyl)-alanine3]-T134
Database Links Click here for help
CAS Registry No. 229030-20-0
ChEMBL Ligand CHEMBL2370138
GtoPdb PubChem SID 135652593
PubChem CID 16130395
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