2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(pentylamino)-phenyl-amino]butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(pentylamino)-phenyl-amino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-oxo-4-(N-(pentylamino)anilino)butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(N-(pentylamino)anilino)butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(N-(pentylamino)anilino)butanoic acid Traditional Name: 4-(N-(amylamino)anilino)-2-(tert-butoxycarbonylamino)-4-keto-butyric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNN(C1=CC=CC=C1)C(=O)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNN(C1=CC=CC=C1)C(=O)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5/c1-5-6-10-13-21-23(15-11-8-7-9-12-15)17(24)14-16(18(25)26)22-19(27)28-20(2,3)4/h7-9,11-12,16,21H,5-6,10,13-14H2,1-4H3,(H,22,27)(H,25,26)