tert-butyl N-[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-4-yl)-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-4-yl)-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[2-[[4-guanidino-1-(3-methyl-2-oxo-1,3-benzothiazole-4-carbonyl)butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[2-[[5-(diaminomethylideneamino)-1-(3-methyl-2-oxo-1,3-benzothiazol-4-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[2-[[5-(diaminomethylideneamino)-1-(3-methyl-2-oxo-1,3-benzothiazol-4-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[2-[[4-guanidino-1-(2-keto-3-methyl-1,3-benzothiazole-4-carbonyl)butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C27H41N7O6S MolecularWeight: 591.72274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C1=C2C(=CC=C1)SC(=O)N2C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C1=C2C(=CC=C1)SC(=O)N2C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H41N7O6S/c1-15(2)13-18(33-25(38)40-27(3,4)5)23(37)31-14-20(35)32-17(10-8-12-30-24(28)29)22(36)16-9-7-11-19-21(16)34(6)26(39)41-19/h7,9,11,15,17-18H,8,10,12-14H2,1-6H3,(H,31,37)(H,32,35)(H,33,38)(H4,28,29,30)