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

Systemtic Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanyl-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-hydroxy-propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[(2S)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-hydroxypropanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[(2S)-2-[(4-amidinophenyl)carbamoylamino]-3-hydroxy-propanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C(CO)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)[C@H](CO)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N6O5/c1-2-32-18(29)10-16(14-4-3-9-24-11-14)26-20(30)17(12-28)27-21(31)25-15-7-5-13(6-8-15)19(22)23/h3-9,11,16-17,28H,2,10,12H2,1H3,(H3,22,23)(H,26,30)(H2,25,27,31)/t16?,17-/m0/s1