N-[1-azanyl-6-[bis(azanyl)methylideneamino]-3-methanoyl-2-oxidanylidene-4-phenyl-hexan-3-yl]-1-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-azanyl-6-[bis(azanyl)methylideneamino]-3-methanoyl-2-oxidanylidene-4-phenyl-hexan-3-yl]-1-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(2-aminoacetyl)-1-formyl-4-guanidino-2-phenyl-butyl]-1-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide CAS Name: N-[1-amino-6-(diaminomethylideneamino)-3-formyl-2-oxo-4-phenylhexan-3-yl]-1-ethylsulfonyl-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-amino-6-(diaminomethylideneamino)-3-formyl-2-oxo-4-phenylhexan-3-yl]-1-ethylsulfonyl-N-methylpyrrolidine-2-carboxamide Traditional Name: 1-esyl-N-(1-formyl-1-glycyl-4-guanidino-2-phenyl-butyl)-N-methyl-pyrrolidine-2-carboxamide Formula: C22H34N6O5S MolecularWeight: 494.60756

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCC1C(=O)N(C)C(C=O)(C(CCN=C(N)N)C2=CC=CC=C2)C(=O)CN

Isomeric SMILES

CCS(=O)(=O)N1CCCC1C(=O)N(C)C(C=O)(C(CCN=C(N)N)C2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C22H34N6O5S/c1-3-34(32,33)28-13-7-10-18(28)20(31)27(2)22(15-29,19(30)14-23)17(11-12-26-21(24)25)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14,23H2,1-2H3,(H4,24,25,26)