3-methyl-2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[4-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-tert-butoxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O7/c1-13(2)17(19(26)27)23-18(25)15(11-16(24)30-21(3,4)5)22-20(28)29-12-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)