(2S)-2-[[3-[(4-ethoxycarbonylpiperidin-1-yl)methyl]phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[3-[(4-ethoxycarbonylpiperidin-1-yl)methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[3-[(4-ethoxycarbonyl-1-piperidyl)methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[3-[(4-ethoxycarbonyl-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-[(4-ethoxycarbonylpiperidin-1-yl)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-[(4-carbethoxypiperidino)methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=CC(=C2)C(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-4-28-21(27)16-8-10-23(11-9-16)13-15-6-5-7-17(12-15)19(24)22-18(14(2)3)20(25)26/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3,(H,22,24)(H,25,26)/t18-/m0/s1