tert-butyl 3-aminocarbonyl-4-[1-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1-tert-butyl-piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-aminocarbonyl-4-[1-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1-tert-butyl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-tert-butyl-3-carbamoyl-4-[1-[(2,4-diamino-4-oxo-butanoyl)amino]-2-hydroxy-4-phenyl-butyl]piperazin-1-ium-1-carboxylate CAS Name: 1-tert-butyl-3-carbamoyl-4-[1-[(2,4-diamino-1,4-dioxobutyl)amino]-2-hydroxy-4-phenylbutyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-tert-butyl-3-carbamoyl-4-[1-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxy-4-phenylbutyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-tert-butyl-3-carbamoyl-4-[1-[(2,4-diamino-4-keto-butanoyl)amino]-2-hydroxy-4-phenyl-butyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C28H47N6O6+ MolecularWeight: 563.70938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCN(C(C1)C(=O)N)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[N+]1(CCN(C(C1)C(=O)N)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H46N6O6/c1-27(2,3)34(26(39)40-28(4,5)6)15-14-33(20(17-34)23(31)37)24(32-25(38)19(29)16-22(30)36)21(35)13-12-18-10-8-7-9-11-18/h7-11,19-21,24,35H,12-17,29H2,1-6H3,(H4-,30,31,32,36,37,38)/p+1