methyl (2S)-4-methyl-2-[[(3S)-4-methyl-3-(phenylmethoxycarbonylaminooxy)pentanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(3S)-4-methyl-3-(phenylmethoxycarbonylaminooxy)pentanoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[(3S)-3-(benzyloxycarbonylaminooxy)-4-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(3S)-4-methyl-1-oxo-3-(phenylmethoxycarbonylaminooxy)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(3S)-4-methyl-3-(phenylmethoxycarbonylaminooxy)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(3S)-3-(benzyloxycarbonylaminooxy)-4-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CC(C(C)C)ONC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6/c1-14(2)11-17(20(25)27-5)22-19(24)12-18(15(3)4)29-23-21(26)28-13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3,(H,22,24)(H,23,26)/t17-,18-/m0/s1