(2-methylpropan-2-yl)oxycarbonyl 2-azanyl-5-[bis(azanyl)methylideneamino]-4-(4-methylphenyl)sulfonyl-pentanoate

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyl 2-azanyl-5-[bis(azanyl)methylideneamino]-4-(4-methylphenyl)sulfonyl-pentanoate Openeye Name: tert-butoxycarbonyl 2-amino-5-guanidino-4-(p-tolylsulfonyl)pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)-4-(4-methylphenyl)sulfonylpentanoic acid [(2-methylpropan-2-yl)oxy-oxomethyl] ester IUPAC Name: (2-methylpropan-2-yl)oxycarbonyl 2-amino-5-(diaminomethylideneamino)-4-(4-methylphenyl)sulfonylpentanoate Traditional Name: 2-amino-5-guanidino-4-tosyl-valeric acid tert-butoxycarbonyl ester Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)OC(=O)OC(C)(C)C)N)CN=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)OC(=O)OC(C)(C)C)N)CN=C(N)N

InChI

InChI=1S/C18H28N4O6S/c1-11-5-7-12(8-6-11)29(25,26)13(10-22-16(20)21)9-14(19)15(23)27-17(24)28-18(2,3)4/h5-8,13-14H,9-10,19H2,1-4H3,(H4,20,21,22)