ethyl (3S)-4-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]butanoate

Systemtic Name: ethyl (3S)-4-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]butanoate Openeye Name: ethyl (3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-(3-carbamimidoylphenoxy)butanoate CAS Name: (3S)-4-(3-carbamimidoylphenoxy)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-(3-carbamimidoylphenoxy)butanoate Traditional Name: (3S)-3-[(4-amidinobenzoyl)amino]-4-(3-amidinophenoxy)butyric acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(COC1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C[C@@H](COC1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N5O4/c1-2-29-18(27)11-16(12-30-17-5-3-4-15(10-17)20(24)25)26-21(28)14-8-6-13(7-9-14)19(22)23/h3-10,16H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,26,28)/t16-/m0/s1