2-[[4-cyclohexyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 2-[[4-cyclohexyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[4-cyclohexyloxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 2-[[4-cyclohexyloxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(cyclohexoxy)-4-keto-butanoyl]amino]propionic acid Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC(=O)OC1CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC(=O)OC1CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O7/c1-14(20(26)27)22-19(25)17(12-18(24)30-16-10-6-3-7-11-16)23-21(28)29-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3,(H,22,25)(H,23,28)(H,26,27)