2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-pyridin-3-yl-amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-pyridin-3-yl-amino]ethanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-(3-pyridyl)amino]acetic acid CAS Name: 2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-(3-pyridinyl)amino]acetic acid IUPAC Name: 2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-pyridin-3-ylamino]acetic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-(3-pyridyl)amino]acetic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC(=O)O)C1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)N(CC(=O)O)C1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5/c1-3-15(2)19(23-21(28)29-14-16-8-5-4-6-9-16)20(27)24(13-18(25)26)17-10-7-11-22-12-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,23,28)(H,25,26)