methyl 3-[(2-methylpropan-2-yl)oxy]-2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxy]-2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepane-1-carbonyl]amino]-3-tert-butoxy-propanoate CAS Name: 2-[[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-oxomethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepane-1-carbonyl]amino]-3-tert-butoxy-propionic acid methyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC)NC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC)NC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H34N4O5/c1-22(2,3)31-16-18(20(28)30-4)24-21(29)26-12-8-11-25(13-14-26)15-19(27)23-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-16H2,1-4H3,(H,23,27)(H,24,29)