DFGYVAE   Click here for help

GtoPdb Ligand ID: 3023

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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1)C
Isomeric SMILES OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)C
InChI InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1
InChI Key RRCWAJVJCDGGKS-UQPWSHDPSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL1163804
GtoPdb PubChem SID 135651956
PubChem CID 46906168
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Search UniChem for chemicals with the same backbone RRCWAJVJCDGGKS