2-azanyl-N-[5-azanyl-2-methyl-3-(4-methylphenyl)sulfonyl-5-oxidanyl-4-oxidanylidene-7-phenyl-heptan-3-yl]-5-[bis(azanyl)methylideneamino]-N-methyl-pentanamide

Systemtic Name: 2-azanyl-N-[5-azanyl-2-methyl-3-(4-methylphenyl)sulfonyl-5-oxidanyl-4-oxidanylidene-7-phenyl-heptan-3-yl]-5-[bis(azanyl)methylideneamino]-N-methyl-pentanamide Openeye Name: 2-amino-N-[3-amino-3-hydroxy-1-isopropyl-2-oxo-5-phenyl-1-(p-tolylsulfonyl)pentyl]-5-guanidino-N-methyl-pentanamide CAS Name: 2-amino-N-[5-amino-5-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-7-phenylheptan-3-yl]-5-(diaminomethylideneamino)-N-methylpentanamide IUPAC Name: 2-amino-N-[5-amino-5-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-7-phenylheptan-3-yl]-5-(diaminomethylideneamino)-N-methylpentanamide Traditional Name: 2-amino-N-(3-amino-3-hydroxy-1-isopropyl-2-keto-5-phenyl-1-tosyl-pentyl)-5-guanidino-N-methyl-valeramide Formula: C28H42N6O5S MolecularWeight: 574.73528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(C)C)(C(=O)C(CCC2=CC=CC=C2)(N)O)N(C)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(C)C)(C(=O)C(CCC2=CC=CC=C2)(N)O)N(C)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C28H42N6O5S/c1-19(2)28(40(38,39)22-14-12-20(3)13-15-22,34(4)24(35)23(29)11-8-18-33-26(30)31)25(36)27(32,37)17-16-21-9-6-5-7-10-21/h5-7,9-10,12-15,19,23,37H,8,11,16-18,29,32H2,1-4H3,(H4,30,31,33)