2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonyl-propanoic acid Openeye Name: 3-(2-benzyl-3-benzyloxy-3-oxo-propyl)sulfonyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[3-oxo-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonylpropanoic acid IUPAC Name: 3-(2-benzyl-3-oxo-3-phenylmethoxypropyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(3-benzoxy-2-benzyl-3-keto-propyl)sulfonyl-2-(tert-butoxycarbonylamino)propionic acid Formula: C25H31NO8S MolecularWeight: 505.58054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H31NO8S/c1-25(2,3)34-24(30)26-21(22(27)28)17-35(31,32)16-20(14-18-10-6-4-7-11-18)23(29)33-15-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,26,30)(H,27,28)