2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(naphthionylamino)propionic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C20H27N3O6S/c1-20(2,3)29-19(26)21-12-15(18(24)25)22-30(27,28)17-11-7-8-13-14(17)9-6-10-16(13)23(4)5/h6-11,15,22H,12H2,1-5H3,(H,21,26)(H,24,25)