[3-aminocarbonyl-1,5-dimethoxy-1,5-bis(oxidanylidene)pentan-3-yl]-[1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-sulfonyl-azanium

Systemtic Name: [3-aminocarbonyl-1,5-dimethoxy-1,5-bis(oxidanylidene)pentan-3-yl]-[1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-sulfonyl-azanium Openeye Name: [1-[3-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-[1-carbamoyl-3-methoxy-1-(2-methoxy-2-oxo-ethyl)-3-oxo-propyl]-sulfonyl-ammonium CAS Name: [1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(3-carbamoyl-1,5-dimethoxy-1,5-dioxopentan-3-yl)-sulfonylammonium IUPAC Name: [1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(3-carbamoyl-1,5-dimethoxy-1,5-dioxopentan-3-yl)-sulfonylazanium Traditional Name: [1-[3-(2-amidino-4-carbobenzoxy-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-[1-carbamoyl-3-keto-1-(2-keto-2-methoxy-ethyl)-3-methoxy-propyl]-sulfonyl-ammonium Formula: C35H38N5O10S+ MolecularWeight: 720.76872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)(C(=O)N)[N+](=S(=O)=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

COC(=O)CC(CC(=O)OC)(C(=O)N)[N+](=S(=O)=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C35H37N5O10S/c1-48-30(42)19-35(34(38)45,20-31(43)49-2)40(51(46)47)26-13-14-28-24(17-26)9-6-16-39(28)29(41)15-12-23-10-11-25(18-27(23)32(36)37)33(44)50-21-22-7-4-3-5-8-22/h3-5,7-8,10-11,13-14,17-18H,6,9,12,15-16,19-21H2,1-2H3,(H4-,36,37,38,45)/p+1