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

Systemtic Name: ethyl (2S)-2-[[7-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[7-[(4-carbamimidoylbenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[7-[(4-carbamimidoylbenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[7-[(4-amidinobenzoyl)amino]-3-keto-2-methyl-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H29N5O6 MolecularWeight: 543.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H29N5O6/c1-3-39-26(36)22(15-17-7-5-4-6-8-17)34-28(38)29(2)27(37)33-21-14-13-20(16-23(21)40-29)32-25(35)19-11-9-18(10-12-19)24(30)31/h4-14,16,22H,3,15H2,1-2H3,(H3,30,31)(H,32,35)(H,33,37)(H,34,38)/t22-,29?/m0/s1