methyl (2S)-4-methyl-2-[2-oxidanylidene-4-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-oxidanylidene-4-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl]pentanoate Openeye Name: methyl (2S)-2-[4-[(2S)-2-(benzyloxycarbonylamino)propanoyl]-2-oxo-piperazin-1-yl]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[2-oxo-4-[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[2-oxo-4-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl]pentanoate Traditional Name: (2S)-2-[4-[(2S)-2-(benzyloxycarbonylamino)propanoyl]-2-keto-piperazino]-4-methyl-valeric acid methyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1CCN(CC1=O)C(=O)C(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCN(C(=O)C1)[C@@H](CC(C)C)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O6/c1-15(2)12-18(21(28)30-4)25-11-10-24(13-19(25)26)20(27)16(3)23-22(29)31-14-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,23,29)/t16-,18-/m0/s1