(phenylmethyl) N-[1-[[1-(ethylamino)-1-oxidanylidene-butan-2-yl]amino]-5-methyl-1-oxidanylidene-hexan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[1-(ethylamino)-1-oxidanylidene-butan-2-yl]amino]-5-methyl-1-oxidanylidene-hexan-3-yl]carbamate Openeye Name: benzyl N-[1-[2-[1-(ethylcarbamoyl)propylamino]-2-oxo-ethyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[1-(ethylamino)-1-oxobutan-2-yl]amino]-5-methyl-1-oxohexan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[1-(ethylamino)-1-oxobutan-2-yl]amino]-5-methyl-1-oxohexan-3-yl]carbamate Traditional Name: N-[1-[2-[1-(ethylcarbamoyl)propylamino]-2-keto-ethyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC)NC(=O)CC(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)NCC)NC(=O)CC(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H33N3O4/c1-5-18(20(26)22-6-2)24-19(25)13-17(12-15(3)4)23-21(27)28-14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)