2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[[2-(pentylamino)phenyl]amino]pentanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[[2-(pentylamino)phenyl]amino]pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-oxo-5-[2-(pentylamino)anilino]pentanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-[2-(pentylamino)anilino]pentanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[2-(pentylamino)anilino]pentanoic acid Traditional Name: 5-[2-(amylamino)anilino]-2-(tert-butoxycarbonylamino)-5-keto-valeric acid Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC=CC=C1NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC1=CC=CC=C1NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5/c1-5-6-9-14-22-15-10-7-8-11-16(15)23-18(25)13-12-17(19(26)27)24-20(28)29-21(2,3)4/h7-8,10-11,17,22H,5-6,9,12-14H2,1-4H3,(H,23,25)(H,24,28)(H,26,27)