3-[8-[[(carboxylatoamino)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]octylamino]-3-oxidanylidene-2-phenylmethoxy-propanoate

Systemtic Name: 3-[8-[[(carboxylatoamino)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]octylamino]-3-oxidanylidene-2-phenylmethoxy-propanoate Openeye Name: 2-benzyloxy-3-[8-[[(tert-butoxycarbonylamino)-(carboxylatoamino)methylene]amino]octylamino]-3-oxo-propanoate CAS Name: 3-[8-[[(carboxylatoamino)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]amino]octylamino]-3-oxo-2-phenylmethoxypropanoate IUPAC Name: 3-[8-[[(carboxylatoamino)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]octylamino]-3-oxo-2-phenylmethoxypropanoate Traditional Name: 2-benzoxy-3-[8-[[(tert-butoxycarbonylamino)-(carboxylatoamino)methylene]amino]octylamino]-3-keto-propionate Formula: C25H36N4O8-2 MolecularWeight: 520.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCCCCCNC(=O)C(C(=O)[O-])OCC1=CC=CC=C1)NC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCCCCCNC(=O)C(C(=O)[O-])OCC1=CC=CC=C1)NC(=O)[O-]

InChI

InChI=1S/C25H38N4O8/c1-25(2,3)37-24(35)29-22(28-23(33)34)27-16-12-7-5-4-6-11-15-26-20(30)19(21(31)32)36-17-18-13-9-8-10-14-18/h8-10,13-14,19H,4-7,11-12,15-17H2,1-3H3,(H,26,30)(H,31,32)(H,33,34)(H2,27,28,29,35)/p-2