3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-yl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-yl-propanoyl]amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-(2-naphthyl)propanoyl]amino]propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoyl]amino]propanoic acid Traditional Name: 3-[[3-[(4-amidinophenyl)carbamoylamino]-3-(2-naphthyl)propanoyl]amino]propionic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(CC(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(CC(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H25N5O4/c25-23(26)16-7-9-19(10-8-16)28-24(33)29-20(14-21(30)27-12-11-22(31)32)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20H,11-12,14H2,(H3,25,26)(H,27,30)(H,31,32)(H2,28,29,33)