ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-2-phenyl-ethanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-2-phenyl-ethanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-2-phenyl-acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[(2S)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-2-phenylacetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[(2S)-2-[(4-amidinophenyl)carbamoylamino]-2-phenyl-acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O4/c1-2-36-22(33)15-21(19-9-6-14-29-16-19)31-25(34)23(17-7-4-3-5-8-17)32-26(35)30-20-12-10-18(11-13-20)24(27)28/h3-14,16,21,23H,2,15H2,1H3,(H3,27,28)(H,31,34)(H2,30,32,35)/t21?,23-/m0/s1