ethyl (2S)-2-benzamido-5-[[[(2-methylpropan-2-yl)oxycarbonylamino]-(propanoylamino)methylidene]amino]pentanoate

Systemtic Name: ethyl (2S)-2-benzamido-5-[[[(2-methylpropan-2-yl)oxycarbonylamino]-(propanoylamino)methylidene]amino]pentanoate Openeye Name: ethyl (2S)-2-benzamido-5-[[(tert-butoxycarbonylamino)-(propanoylamino)methylene]amino]pentanoate CAS Name: (2S)-2-benzamido-5-[[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(1-oxopropylamino)methylidene]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzamido-5-[[[(2-methylpropan-2-yl)oxycarbonylamino]-(propanoylamino)methylidene]amino]pentanoate Traditional Name: (2S)-2-benzamido-5-[[(tert-butoxycarbonylamino)-(propionylamino)methylene]amino]valeric acid ethyl ester Formula: C23H34N4O6 MolecularWeight: 464.526078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=NCCCC(C(=O)OCC)NC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)[15NH]C(=NCCC[C@@H](C(=O)OCC)NC(=O)C1=CC=CC=C1)[15NH]C(=O)OC(C)(C)C

InChI

InChI=1S/C23H34N4O6/c1-6-18(28)26-21(27-22(31)33-23(3,4)5)24-15-11-14-17(20(30)32-7-2)25-19(29)16-12-9-8-10-13-16/h8-10,12-13,17H,6-7,11,14-15H2,1-5H3,(H,25,29)(H2,24,26,27,28,31)/t17-/m0/s1/i26+1,27+1