RB-400   

GtoPdb Ligand ID: 900

Synonyms: RB 400 | RB400
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCCCC(N(C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)O)C)C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O
Isomeric SMILES CCCC[C@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O
InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
InChI Key QUSCQANKQSFCGJ-FWEHEUNISA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid
Synonyms
RB 400 | RB400
Database Links
BindingDB Ligand 50092405
CAS Registry No. 203563-92-2
ChEMBL Ligand CHEMBL262197
GtoPdb PubChem SID 135652432
PubChem CID 5311400
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