methyl 2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoate dihydrochloride

Systemtic Name: methyl 2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoate dihydrochloride Openeye Name: methyl 2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-methyl-butanoyl]-(p-tolylsulfonyl)amino]-3-phenyl-propanoate dihydrochloride CAS Name: 2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoate dihydrochloride Traditional Name: 2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-methyl-butanoyl]-tosyl-amino]-3-phenyl-propionic acid methyl ester dihydrochloride Formula: C28H42Cl2N6O6S MolecularWeight: 661.64068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)OC)C(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)OC)C(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N.Cl.Cl

InChI

InChI=1S/C28H40N6O6S.2ClH/c1-18(2)24(33-25(35)22(29)11-8-16-32-28(30)31)26(36)34(41(38,39)21-14-12-19(3)13-15-21)23(27(37)40-4)17-20-9-6-5-7-10-20;;/h5-7,9-10,12-15,18,22-24H,8,11,16-17,29H2,1-4H3,(H,33,35)(H4,30,31,32);2*1H