tert-butyl N-(2-azanyl-4-methylsulfanyl-butanoyl)-N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-(2-azanyl-4-methylsulfanyl-butanoyl)-N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]-N-(2-amino-4-methylsulfanyl-butanoyl)carbamate CAS Name: N-[2-amino-4-(methylthio)-1-oxobutyl]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-amino-4-methylsulfanylbutanoyl)-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]-N-[2-amino-4-(methylthio)butanoyl]carbamic acid tert-butyl ester Formula: C25H41N7O5S MolecularWeight: 551.70194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)C(=O)C(CCSC)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)C(=O)C(CCSC)N

InChI

InChI=1S/C25H41N7O5S/c1-25(2,3)37-24(36)32(22(35)17(26)12-14-38-4)19(11-8-13-30-23(28)29)21(34)31-18(20(27)33)15-16-9-6-5-7-10-16/h5-7,9-10,17-19H,8,11-15,26H2,1-4H3,(H2,27,33)(H,31,34)(H4,28,29,30)