2-[(2-ethylphenyl)sulfonylamino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

Systemtic Name: 2-[(2-ethylphenyl)sulfonylamino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[3-(tert-butoxycarbonylamino)propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid CAS Name: 2-[(2-ethylphenyl)sulfonylamino]-3-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[(2-ethylphenyl)sulfonylamino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid Traditional Name: 3-[3-(tert-butoxycarbonylamino)propanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propionic acid Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H29N3O7S/c1-5-13-8-6-7-9-15(13)30(27,28)22-14(17(24)25)12-21-16(23)10-11-20-18(26)29-19(2,3)4/h6-9,14,22H,5,10-12H2,1-4H3,(H,20,26)(H,21,23)(H,24,25)