A-71623   

GtoPdb Ligand ID: 858

Synonyms: A 71623 | A71623 | L-phenylalaninamide
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CC(C(=O)N(C(C(=O)N)Cc1ccccc1)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C
Isomeric SMILES OC(=O)C[C@@H](C(=O)N([C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C
InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
InChI Key KNHCBYMGWWTGSO-ZYADHFCISA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid
Synonyms
A 71623 | A71623 | L-phenylalaninamide
Database Links
CAS Registry No. 130408-77-4 (source: Scifinder)
ChEMBL Ligand CHEMBL323521
GtoPdb PubChem SID 135651964
PubChem CID 121964
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Search UniChem for chemicals with the same backbone KNHCBYMGWWTGSO

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Tocris
A-71623
Cat. No. 2411