3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-oxo-2-phenyl-propanoic acid CAS Name: 3-[6-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]hexylamino]-3-oxo-2-phenylpropanoic acid IUPAC Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxo-2-phenylpropanoic acid Traditional Name: 3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-keto-2-phenyl-propionic acid Formula: C26H40N4O7 MolecularWeight: 520.6184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O7/c1-25(2,3)36-23(34)29-22(30-24(35)37-26(4,5)6)28-17-13-8-7-12-16-27-20(31)19(21(32)33)18-14-10-9-11-15-18/h9-11,14-15,19H,7-8,12-13,16-17H2,1-6H3,(H,27,31)(H,32,33)(H2,28,29,30,34,35)