4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-(propylamino)benzoic acid

Systemtic Name: 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-(propylamino)benzoic acid Openeye Name: 4-[5-(tert-butoxycarbonylamino)pentanoylamino]-3-(propylamino)benzoic acid CAS Name: 4-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-(propylamino)benzoic acid IUPAC Name: 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-(propylamino)benzoic acid Traditional Name: 4-[5-(tert-butoxycarbonylamino)pentanoylamino]-3-(propylamino)benzoic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCNC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5/c1-5-11-21-16-13-14(18(25)26)9-10-15(16)23-17(24)8-6-7-12-22-19(27)28-20(2,3)4/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)