3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]benzoic acid Openeye Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]benzoic acid CAS Name: 3-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]benzoic acid IUPAC Name: 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]benzoic acid Traditional Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]benzoic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-18(2,3)27-17(25)20-13(16(24)26-4)8-9-14(21)19-12-7-5-6-11(10-12)15(22)23/h5-7,10,13H,8-9H2,1-4H3,(H,19,21)(H,20,25)(H,22,23)/t13-/m0/s1