[ethyl-(1-methylpyridin-1-ium-3-yl)carbonyl-amino] 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: [ethyl-(1-methylpyridin-1-ium-3-yl)carbonyl-amino] 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] 3-phenyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid [ethyl-[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino] ester IUPAC Name: [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[(1-tosylprolyl)amino]propionic acid [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] ester Formula: C30H35N4O6S+ MolecularWeight: 579.6871

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=C[N+](=CC=C1)C)OC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(C(=O)C1=C[N+](=CC=C1)C)OC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H34N4O6S/c1-4-33(29(36)24-12-8-18-32(3)21-24)40-30(37)26(20-23-10-6-5-7-11-23)31-28(35)27-13-9-19-34(27)41(38,39)25-16-14-22(2)15-17-25/h5-8,10-12,14-18,21,26-27H,4,9,13,19-20H2,1-3H3/p+1