2-[1-[(4-carbamimidoylphenyl)carbonyl-propan-2-yl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)carbonyl-propan-2-yl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylbenzoyl)-isopropyl-amino]tetralin-2-yl]acetic acid CAS Name: 2-[1-[[(4-carbamimidoylphenyl)-oxomethyl]-propan-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylbenzoyl)-propan-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[1-[(4-amidinobenzoyl)-isopropyl-amino]tetralin-2-yl]acetic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1C(CCC2=CC=CC=C12)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)N(C1C(CCC2=CC=CC=C12)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N3O3/c1-14(2)26(23(29)17-10-8-16(9-11-17)22(24)25)21-18(13-20(27)28)12-7-15-5-3-4-6-19(15)21/h3-6,8-11,14,18,21H,7,12-13H2,1-2H3,(H3,24,25)(H,27,28)