2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[(tert-butoxycarbonylamino)-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]propionic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(COCC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(COCC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O7/c1-15-9-8-12-17-19(15)21(30)33-22(25-17)27(26-23(31)34-24(2,3)4)18(20(28)29)14-32-13-16-10-6-5-7-11-16/h5-12,18H,13-14H2,1-4H3,(H,26,31)(H,28,29)