3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]hydrazo]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]-3-phenyl-propionic acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N5O4/c1-15-10-12-23-18(13-15)22-11-6-5-9-19(27)25-26-21(30)24-17(14-20(28)29)16-7-3-2-4-8-16/h2-4,7-8,10,12-13,17H,5-6,9,11,14H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,24,26,30)