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3-[[(isoquinolin-3-ylcarbonylamino)-(2-methylpropyl)carbamoyl]amino]-3-(4-methylphenyl)propanoic acid

3-[[(isoquinolin-3-ylcarbonylamino)-(2-methylpropyl)carbamoyl]amino]-3-(4-methylphenyl)propanoic acid

Systemtic Name:3-[[(isoquinolin-3-ylcarbonylamino)-(2-methylpropyl)carbamoyl]amino]-3-(4-methylphenyl)propanoic acid
Openeye Name:3-[[isobutyl-(isoquinoline-3-carbonylamino)carbamoyl]amino]-3-(p-tolyl)propanoic acid
CAS Name:3-[[[[[3-isoquinolinyl(oxo)methyl]amino]-(2-methylpropyl)amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid
IUPAC Name:3-[[(isoquinoline-3-carbonylamino)-(2-methylpropyl)carbamoyl]amino]-3-(4-methylphenyl)propanoic acid
Traditional Name:3-[[isobutyl-(isoquinoline-3-carbonylamino)carbamoyl]amino]-3-(p-tolyl)propionic acid
Formula: C25H28N4O4
MolecularWeight: 448.51422
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)N(CC(C)C)NC(=O)C2=CC3=CC=CC=C3C=N2


Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)N(CC(C)C)NC(=O)C2=CC3=CC=CC=C3C=N2


InChI

InChI=1S/C25H28N4O4/c1-16(2)15-29(28-24(32)22-12-19-6-4-5-7-20(19)14-26-22)25(33)27-21(13-23(30)31)18-10-8-17(3)9-11-18/h4-12,14,16,21H,13,15H2,1-3H3,(H,27,33)(H,28,32)(H,30,31)


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