methyl (2S)-2-[[6-(cyclobutylcarbonylamino)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[6-(cyclobutylcarbonylamino)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[6-(cyclobutanecarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-[[cyclobutyl(oxo)methyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[6-(cyclobutanecarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[6-(cyclobutanecarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCC4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCC4

InChI

InChI=1S/C24H25N3O5/c1-14-17(25-21(28)16-9-6-10-16)11-12-18-20(14)23(30)32-24(26-18)27-19(22(29)31-2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,16,19H,6,9-10,13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1