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

Systemtic Name: 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanyl-propanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-hydroxy-propanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[(2S)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-hydroxypropanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[(2S)-2-[(4-amidinophenyl)carbamoylamino]-3-hydroxy-propanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O5/c20-17(21)11-3-5-13(6-4-11)23-19(30)25-15(10-26)18(29)24-14(8-16(27)28)12-2-1-7-22-9-12/h1-7,9,14-15,26H,8,10H2,(H3,20,21)(H,24,29)(H,27,28)(H2,23,25,30)/t14?,15-/m0/s1