tert-butyl (2S)-4-methyl-2-[[(3S)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[(3S)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-[[(3S)-3-(benzyloxycarbonylamino)-2-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3S)-1,2-dioxo-3-(phenylmethoxycarbonylamino)butyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(3S)-3-(benzyloxycarbonylamino)-2-keto-butanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6/c1-14(2)12-17(20(27)30-22(4,5)6)24-19(26)18(25)15(3)23-21(28)29-13-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3,(H,23,28)(H,24,26)/t15-,17-/m0/s1