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

Systemtic Name: tert-butyl N-[1-[[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate hydrobromide Openeye Name: tert-butyl N-[1-[[1-[[2-[[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamate hydrobromide CAS Name: N-[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester hydrobromide IUPAC Name: tert-butyl N-[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate hydrobromide Traditional Name: N-[1-[[1-[[2-[[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester hydrobromide Formula: C30H50BrN9O8 MolecularWeight: 744.6775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)NC(=O)OC(C)(C)C.Br

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)NC(=O)OC(C)(C)C.Br

InChI

InChI=1S/C30H49N9O8.BrH/c1-17(2)15-22(37-27(43)24(18(3)4)38-29(44)47-30(5,6)7)25(41)34-16-23(40)36-21(9-8-14-33-28(31)32)26(42)35-19-10-12-20(13-11-19)39(45)46;/h10-13,17-18,21-22,24H,8-9,14-16H2,1-7H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,38,44)(H4,31,32,33);1H