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

Systemtic Name: 3-(4-methoxyphenyl)-3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-[[[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]hydrazo]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]propanoic acid Traditional Name: 3-(4-methoxyphenyl)-3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]propionic acid Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O5/c1-15-10-12-24-19(13-15)23-11-4-3-5-20(28)26-27-22(31)25-18(14-21(29)30)16-6-8-17(32-2)9-7-16/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H,23,24)(H,26,28)(H,29,30)(H2,25,27,31)