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

Systemtic Name: (2S)-2-[[4-(4-ethoxycarbonylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[4-[(4-ethoxycarbonyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[4-[(4-ethoxycarbonyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-(4-ethoxycarbonylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-(4-carbethoxypiperidino)sulfonylbenzoyl]amino]-3-methyl-butyric acid Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7S/c1-4-29-20(26)15-9-11-22(12-10-15)30(27,28)16-7-5-14(6-8-16)18(23)21-17(13(2)3)19(24)25/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,21,23)(H,24,25)/t17-/m0/s1