(6-carbamimidoylnaphthalen-2-yl) 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 6-(benzyloxycarbonylamino)hexanoate; methanesulfonic acid CAS Name: methanesulfonic acid; 6-(phenylmethoxycarbonylamino)hexanoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonic acid Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C26H31N3O7S MolecularWeight: 529.60524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N3O4.CH4O3S/c26-24(27)21-11-10-20-16-22(13-12-19(20)15-21)32-23(29)9-5-2-6-14-28-25(30)31-17-18-7-3-1-4-8-18;1-5(2,3)4/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,17H2,(H3,26,27)(H,28,30);1H3,(H,2,3,4)