3-[[3-[[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[2-amino-3-(4-carbamimidoylphenyl)propanoyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[2-amino-3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[[2-amino-3-(4-carbamimidoylphenyl)propanoyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[[3-(4-amidinophenyl)-2-amino-propanoyl]amino]benzoyl]amino]propionic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC2=CC=C(C=C2)C(=N)N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CC2=CC=C(C=C2)C(=N)N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H23N5O4/c21-16(10-12-4-6-13(7-5-12)18(22)23)20(29)25-15-3-1-2-14(11-15)19(28)24-9-8-17(26)27/h1-7,11,16H,8-10,21H2,(H3,22,23)(H,24,28)(H,25,29)(H,26,27)