(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[bis(tert-butoxycarbonylamino)methyleneamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[bis(tert-butoxycarbonylamino)methyleneamino]-3-phenyl-propionic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6/c1-19(2,3)28-17(26)22-16(23-18(27)29-20(4,5)6)21-14(15(24)25)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3,(H,24,25)(H2,21,22,23,26,27)/t14-/m0/s1