[1-[[6-acetamido-1-(dimethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamic acid

Systemtic Name: [1-[[6-acetamido-1-(dimethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamic acid Openeye Name: [2-[[5-acetamido-1-(dimethylcarbamoyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]-methyl-carbamic acid CAS Name: [1-[[6-acetamido-1-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid IUPAC Name: [1-[[6-acetamido-1-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid Traditional Name: [2-[[5-acetamido-1-(dimethylcarbamoyl)pentyl]amino]-1-benzyl-2-keto-ethyl]-methyl-carbamic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)N(C)C)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)O

Isomeric SMILES

CC(=O)NCCCCC(C(=O)N(C)C)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)O

InChI

InChI=1S/C21H32N4O5/c1-15(26)22-13-9-8-12-17(20(28)24(2)3)23-19(27)18(25(4)21(29)30)14-16-10-6-5-7-11-16/h5-7,10-11,17-18H,8-9,12-14H2,1-4H3,(H,22,26)(H,23,27)(H,29,30)