(2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-isopropylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-propan-2-yl-1-piperazinyl)pentanoic acid IUPAC Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-isopropylpiperazino)-5-keto-valeric acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O5/c1-15(2)22-10-12-23(13-11-22)18(24)9-8-17(19(25)26)21-20(27)28-14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,27)(H,25,26)/t17-/m0/s1