ethyl 7-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-6-(methylsulfonylamino)-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-6-(methylsulfonylamino)-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-6-(methanesulfonamido)-7-oxo-heptanoate CAS Name: 7-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-6-(methanesulfonamido)-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-6-(methanesulfonamido)-7-oxoheptanoate Traditional Name: 7-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidino]-7-keto-6-(methanesulfonamido)enanthic acid ethyl ester Formula: C23H35N5O6S MolecularWeight: 509.6189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C23H35N5O6S/c1-3-34-20(29)9-5-4-7-18(27-35(2,32)33)23(31)28-14-6-8-19(28)22(30)26-15-16-10-12-17(13-11-16)21(24)25/h10-13,18-19,27H,3-9,14-15H2,1-2H3,(H3,24,25)(H,26,30)