ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazine-7-carbonyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazin-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazine-7-carbonyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[2-(4-amidinobenzyl)oxy-3-keto-4-methyl-1,4-benzoxazine-7-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(O3)OCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(O3)OCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1