2-[(2S)-6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-[(4-carbamimidoylbenzoyl)amino]chroman-2-yl]acetic acid CAS Name: 2-[(2S)-6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetic acid Traditional Name: 2-[(2S)-6-[(4-amidinobenzoyl)amino]chroman-2-yl]acetic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)OC1CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)O[C@@H]1CC(=O)O

InChI

InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)/t15-/m0/s1