[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]azanium

Systemtic Name: [2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]azanium Openeye Name: [2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]-tert-butoxycarbonyl-amino]-tert-butoxycarbonyl-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]ammonium CAS Name: [2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium IUPAC Name: [2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-5-hydroxy-5-oxopentanoyl]-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-5-hydroxy-5-oxopentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: [2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]-tert-butoxycarbonyl-amino]-tert-butoxycarbonyl-(6-maleimidohexanoyl)ammonium Formula: C40H60N7O19+ MolecularWeight: 942.9399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)[N+](C(=O)CCCCCN1C(=O)C=CC1=O)(C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)[N+](C(=O)CCCCCN1C(=O)C=CC1=O)(C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H59N7O19/c1-39(2,3)65-37(63)46(35(61)24(13-19-31(55)56)43-33(59)22(41)11-17-29(51)52)47(38(64)66-40(4,5)6,28(50)10-8-7-9-21-45-26(48)15-16-27(45)49)36(62)25(14-20-32(57)58)44-34(60)23(42)12-18-30(53)54/h15-16,22-25H,7-14,17-21,41-42H2,1-6H3,(H5-,43,44,51,52,53,54,55,56,57,58,59,60)/p+1