MDL 29,913

MDL 29913 acts as selective antagonist of NK2 tachykinin receptor. It is used for the treatment of IBS.

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Catalog Number R1071
Alternative Name(s) 1,4,7,10,13,16-Hexaazacyclooctadecane, Cyclic Peptide Deriv., N-​(2-​Amino-​4-​methylpentyl)​-​N-​methyl-​L-​leucyl-​L-​glutaminyl-​L-​tryptophyl-​L-​phenylalanylglycine (5→1)​-​Lactam
Molecular Formula C40H56N8O6
CAS# 135721-56-1
Purity >97%
Inchi InChI=1S/C40H56N8O6/c1-25(2)19-29(41)24-48(5)35(20-26(3)4)40(54)45-32(15-16-36(42)50)38(52)47-34(22-28-23-44-31-14-10-9-13-30(28)31)39(53)46-33(37(51)43-17-18-49)21-27-11-7-6-8-12-27/h6-14,17-18,23,25-26,29,32-35,44H,15-16,19-22,24,41H2,1-5H3,(H2,42,50)(H,45,54
Inchi Key DBIVSFCCTOEQTP-CITGXELPSA-N
SMILES CC(C)CC(N)CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccccc3)C(=O)N=CC=O
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