2-[[4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-(tert-butoxycarbonylamino)-3-methoxy-1,1-dimethyl-3-oxo-propyl]sulfonyl-propanoic acid CAS Name: 2-[[4-methoxy-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-1,1-dimethyl-propyl]sulfonyl-propionic acid Formula: C21H31NO8S MolecularWeight: 457.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C21H31NO8S/c1-20(2,3)30-19(26)22-16(18(25)29-6)21(4,5)31(27,28)13-15(17(23)24)12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3,(H,22,26)(H,23,24)