2-azanyl-N-[3-azanyl-3-methanoyl-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-phenyl-butyl]-5-[bis(azanyl)methylideneamino]-N-tert-butyl-pentanamide

Systemtic Name: 2-azanyl-N-[3-azanyl-3-methanoyl-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-phenyl-butyl]-5-[bis(azanyl)methylideneamino]-N-tert-butyl-pentanamide Openeye Name: 2-amino-N-[3-amino-3-benzyl-2,4-dioxo-1-(p-tolylsulfonyl)butyl]-N-tert-butyl-5-guanidino-pentanamide CAS Name: 2-amino-N-[3-amino-3-formyl-1-(4-methylphenyl)sulfonyl-2-oxo-4-phenylbutyl]-N-tert-butyl-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-amino-N-[3-amino-3-benzyl-1-(4-methylphenyl)sulfonyl-2,4-dioxobutyl]-N-tert-butyl-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-amino-N-(3-amino-3-benzyl-2,4-diketo-1-tosyl-butyl)-N-tert-butyl-5-guanidino-valeramide Formula: C28H40N6O5S MolecularWeight: 572.7194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C(CC2=CC=CC=C2)(C=O)N)N(C(=O)C(CCCN=C(N)N)N)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C(CC2=CC=CC=C2)(C=O)N)N(C(=O)C(CCCN=C(N)N)N)C(C)(C)C

InChI

InChI=1S/C28H40N6O5S/c1-19-12-14-21(15-13-19)40(38,39)25(23(36)28(32,18-35)17-20-9-6-5-7-10-20)34(27(2,3)4)24(37)22(29)11-8-16-33-26(30)31/h5-7,9-10,12-15,18,22,25H,8,11,16-17,29,32H2,1-4H3,(H4,30,31,33)