2-[[5-methyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[7-[2-(benzyloxycarbonylamino)propanoylamino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-4-oxo-7-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[7-[2-(benzyloxycarbonylamino)propanoylamino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C23H24N4O7 MolecularWeight: 468.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O7/c1-12-9-16(10-17-18(12)21(31)34-22(27-17)24-14(3)20(29)30)26-19(28)13(2)25-23(32)33-11-15-7-5-4-6-8-15/h4-10,13-14H,11H2,1-3H3,(H,24,27)(H,25,32)(H,26,28)(H,29,30)