[6-[2-azanyl-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] hydrogen carbonate

Systemtic Name: [6-[2-azanyl-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] hydrogen carbonate Openeye Name: [6-[2-amino-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] hydrogen carbonate CAS Name: carbonic acid [6-[2-amino-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)-1-oxopropyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] ester IUPAC Name: [6-[2-amino-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[3-(1-amidino-3,6-dihydro-2H-pyridin-5-yl)-2-amino-propanoyl]-4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2,5-dihydropyridin-6-yl] ester Formula: C26H36N6O6S MolecularWeight: 560.66564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(C1)(C(=O)C(CC2=CCCN(C2)C(=N)N)N)OC(=O)O)S(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3

Isomeric SMILES

CC1=CCN(C(C1)(C(=O)C(CC2=CCCN(C2)C(=N)N)N)OC(=O)O)S(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3

InChI

InChI=1S/C26H36N6O6S/c1-17-7-11-32(39(36,37)21-6-5-19-8-10-30(2)16-20(19)13-21)26(14-17,38-25(34)35)23(33)22(27)12-18-4-3-9-31(15-18)24(28)29/h4-7,13,22H,3,8-12,14-16,27H2,1-2H3,(H3,28,29)(H,34,35)