dicyclohexylazanium; (2S)-5-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-(phenylmethyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: dicyclohexylazanium; (2S)-5-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-(phenylmethyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-[benzyl-(tert-butoxycarbonylamino)amino]-5-methoxy-5-oxo-pentanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; (2S)-5-methoxy-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(phenylmethyl)amino]-5-oxopentanoate IUPAC Name: (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-5-methoxy-5-oxopentanoate; dicyclohexylazanium Traditional Name: (2S)-2-[benzyl-(tert-butoxycarbonylamino)amino]-5-keto-5-methoxy-valerate; dicyclohexylammonium Formula: C30H49N3O6 MolecularWeight: 547.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)C(CCC(=O)OC)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)[C@@H](CCC(=O)OC)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C18H26N2O6.C12H23N/c1-18(2,3)26-17(24)19-20(12-13-8-6-5-7-9-13)14(16(22)23)10-11-15(21)25-4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,14H,10-12H2,1-4H3,(H,19,24)(H,22,23);11-13H,1-10H2/t14-;/m0./s1