(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: (4S)-5-anilino-4-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (4S)-5-anilino-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-anilino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: (4S)-5-anilino-4-(tert-butoxycarbonylamino)-5-keto-valeric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5/c1-16(2,3)23-15(22)18-12(9-10-13(19)20)14(21)17-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1