methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[bis(tert-butoxycarbonylamino)methyleneamino]-3-phenyl-propanoate CAS Name: (2S)-2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenylpropanoate Traditional Name: (2S)-2-[bis(tert-butoxycarbonylamino)methyleneamino]-3-phenyl-propionic acid methyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O6/c1-20(2,3)29-18(26)23-17(24-19(27)30-21(4,5)6)22-15(16(25)28-7)13-14-11-9-8-10-12-14/h8-12,15H,13H2,1-7H3,(H2,22,23,24,26,27)/t15-/m0/s1