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

Systemtic Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxidanylidene-2-phenylmethoxy-propanoic acid Openeye Name: 2-benzyloxy-3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-oxo-propanoic acid CAS Name: 3-[6-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]hexylamino]-3-oxo-2-phenylmethoxypropanoic acid IUPAC Name: 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxo-2-phenylmethoxypropanoic acid Traditional Name: 2-benzoxy-3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-keto-propionic acid Formula: C27H42N4O8 MolecularWeight: 550.64438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCCCNC(=O)C(C(=O)O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCCCNC(=O)C(C(=O)O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H42N4O8/c1-26(2,3)38-24(35)30-23(31-25(36)39-27(4,5)6)29-17-13-8-7-12-16-28-21(32)20(22(33)34)37-18-19-14-10-9-11-15-19/h9-11,14-15,20H,7-8,12-13,16-18H2,1-6H3,(H,28,32)(H,33,34)(H2,29,30,31,35,36)