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

Systemtic Name: ethyl 3-[[(3S)-3-[(4-carbamimidoylphenyl)carbamoylamino]-3-pyridin-3-yl-propanoyl]amino]propanoate Openeye Name: ethyl 3-[[(3S)-3-[(4-carbamimidoylphenyl)carbamoylamino]-3-(3-pyridyl)propanoyl]amino]propanoate CAS Name: 3-[[(3S)-3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-3-[(4-carbamimidoylphenyl)carbamoylamino]-3-pyridin-3-ylpropanoyl]amino]propanoate Traditional Name: 3-[[(3S)-3-[(4-amidinophenyl)carbamoylamino]-3-(3-pyridyl)propanoyl]amino]propionic acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4/c1-2-31-19(29)9-11-25-18(28)12-17(15-4-3-10-24-13-15)27-21(30)26-16-7-5-14(6-8-16)20(22)23/h3-8,10,13,17H,2,9,11-12H2,1H3,(H3,22,23)(H,25,28)(H2,26,27,30)/t17-/m0/s1