Chemical Property of (2S)-2-[[(2S)-2-[(2-amino-4-methylpentyl)-methylamino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-1-(2-oxoethylideneamino)-3-phenylpropan-2-yl]amino]propan-2-yl]pentanediamide
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA:233.48000
- Density:1.24g/cm3
- LogP:3.96870
- XLogP3:3.7
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:22
- Exact Mass:744.43228154
- Heavy Atom Count:54
- Complexity:1270
- Purity/Quality:
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98%min *data from raw suppliers
MDL 29,913 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(C)CC(CN(C)C(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N=CC=O)N
- Isomeric SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N=CC=O)N(C)CC(CC(C)C)N
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Uses
MDL 29913 acts as a NK2 tachykinin receptor selective antagonist used in the treatment of IBS.