(2S)-4-methyl-2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-[(3S)-3-allyl-4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[(3S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-prop-2-enyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-prop-2-enylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-[(3S)-3-allyl-4-tert-butoxycarbonyl-2-keto-piperazino]-4-methyl-valeric acid Formula: C18H30N2O5 MolecularWeight: 354.4412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CCN(C(C1=O)CC=C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5/c1-7-8-13-15(21)19(14(16(22)23)11-12(2)3)9-10-20(13)17(24)25-18(4,5)6/h7,12-14H,1,8-11H2,2-6H3,(H,22,23)/t13-,14-/m0/s1