(phenylmethyl) N-[(2S)-1-[[(3S)-1-azanyl-5-methyl-1-oxidanylidene-hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(3S)-1-azanyl-5-methyl-1-oxidanylidene-hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-(2-amino-2-oxo-ethyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(3S)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(3S)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-(2-amino-2-keto-ethyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H33N3O4/c1-14(2)10-17(12-19(22)25)23-20(26)18(11-15(3)4)24-21(27)28-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H2,22,25)(H,23,26)(H,24,27)/t17-,18-/m0/s1