3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]-3-(1-naphthyl)propanoic acid CAS Name: 3-[[[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]hydrazo]-oxomethyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]-3-(1-naphthyl)propionic acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H29N5O4/c1-17-12-14-27-22(15-17)26-13-5-4-11-23(31)29-30-25(34)28-21(16-24(32)33)20-10-6-8-18-7-2-3-9-19(18)20/h2-3,6-10,12,14-15,21H,4-5,11,13,16H2,1H3,(H,26,27)(H,29,31)(H,32,33)(H2,28,30,34)