1-methyl-3-[1,2,4,5-tetrakis(methylcarbamoylamino)hexan-3-yl]urea

Systemtic Name: 1-methyl-3-[1,2,4,5-tetrakis(methylcarbamoylamino)hexan-3-yl]urea Openeye Name: 1-[1-[1,2-bis(methylcarbamoylamino)ethyl]-2,3-bis(methylcarbamoylamino)butyl]-3-methyl-urea CAS Name: 1-methyl-3-[1,2,4,5-tetrakis(methylcarbamoylamino)hexan-3-yl]urea IUPAC Name: 1-methyl-3-[1,2,4,5-tetrakis(methylcarbamoylamino)hexan-3-yl]urea Traditional Name: 1-[1-[1,2-bis(methylcarbamoylamino)ethyl]-2,3-bis(methylcarbamoylamino)butyl]-3-methyl-urea Formula: C16H34N10O5 MolecularWeight: 446.50516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(CNC(=O)NC)NC(=O)NC)NC(=O)NC)NC(=O)NC)NC(=O)NC

Isomeric SMILES

CC(C(C(C(CNC(=O)NC)NC(=O)NC)NC(=O)NC)NC(=O)NC)NC(=O)NC

InChI

InChI=1S/C16H34N10O5/c1-8(23-13(28)18-3)10(25-15(30)20-5)11(26-16(31)21-6)9(24-14(29)19-4)7-22-12(27)17-2/h8-11H,7H2,1-6H3,(H2,17,22,27)(H2,18,23,28)(H2,19,24,29)(H2,20,25,30)(H2,21,26,31)