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

Systemtic Name: 4-azanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]benzoic acid Openeye Name: 4-amino-3-[2-(tert-butoxycarbonylamino)pentanoylamino]benzoic acid CAS Name: 4-amino-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-amino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]benzoic acid Traditional Name: 4-amino-3-[2-(tert-butoxycarbonylamino)pentanoylamino]benzoic acid Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O5/c1-5-6-12(20-16(24)25-17(2,3)4)14(21)19-13-9-10(15(22)23)7-8-11(13)18/h7-9,12H,5-6,18H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)