ethyl 3-(decanoylamino)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoate

Systemtic Name: ethyl 3-(decanoylamino)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoate Openeye Name: ethyl 3-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-5-(decanoylamino)benzoate CAS Name: 3-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-5-(1-oxodecylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(decanoylamino)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-5-(caprylamino)benzoic acid ethyl ester Formula: C27H43N3O6 MolecularWeight: 505.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H43N3O6/c1-7-9-10-11-12-13-14-15-23(31)29-21-16-20(25(33)35-8-2)17-22(18-21)30-24(32)19(3)28-26(34)36-27(4,5)6/h16-19H,7-15H2,1-6H3,(H,28,34)(H,29,31)(H,30,32)/t19-/m0/s1