methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)cyclohexylidene]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexylidene]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)cyclohexylidene]amino]-3-phenyl-propionic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCC1=NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCC1=N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23-17-13-9-8-12-16(17)22-18(19(24)26-4)14-15-10-6-5-7-11-15/h5-7,10-11,17-18H,8-9,12-14H2,1-4H3,(H,23,25)/t17-,18-/m0/s1