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

Systemtic Name: ethyl 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: ethyl 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]benzoate Traditional Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]benzoic acid ethyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O7/c1-6-28-17(24)13-8-7-9-14(12-13)21-16(23)11-10-15(18(25)27-5)22-19(26)29-20(2,3)4/h7-9,12,15H,6,10-11H2,1-5H3,(H,21,23)(H,22,26)/t15-/m0/s1