tert-butyl 2-[[5-methyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoate

Systemtic Name: tert-butyl 2-[[5-methyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoate Openeye Name: tert-butyl 2-[[7-[2-(benzyloxycarbonylamino)propanoylamino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoate CAS Name: 2-[[5-methyl-4-oxo-7-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-methyl-4-oxo-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]amino]propanoate Traditional Name: 2-[[7-[2-(benzyloxycarbonylamino)propanoylamino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid tert-butyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O7/c1-15-12-19(30-22(32)16(2)29-26(35)36-14-18-10-8-7-9-11-18)13-20-21(15)24(34)37-25(31-20)28-17(3)23(33)38-27(4,5)6/h7-13,16-17H,14H2,1-6H3,(H,28,31)(H,29,35)(H,30,32)