2-[[5-azanyl-2-[[6-azanyl-2-[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]butanedioic acid

Systemtic Name: 2-[[5-azanyl-2-[[6-azanyl-2-[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]butanedioic acid Openeye Name: 2-[[5-amino-2-[[6-amino-2-[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]hexanoyl]amino]-5-oxo-pentanoyl]amino]butanedioic acid CAS Name: 2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]butanedioic acid IUPAC Name: 2-[[5-amino-2-[[6-amino-2-[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid Traditional Name: 2-[[5-amino-2-[[6-amino-2-[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]hexanoyl]amino]-5-keto-pentanoyl]amino]succinic acid Formula: C43H71N13O21 MolecularWeight: 1106.09834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C43H71N13O21/c1-5-17(2)32(41(74)48-18(3)34(67)49-21(8-6-7-11-44)36(69)50-22(9-10-27(46)59)37(70)53-25(43(76)77)15-31(65)66)55-39(72)24(14-30(63)64)51-40(73)26(16-57)54-38(71)23(13-28(47)60)52-42(75)33(19(4)58)56-35(68)20(45)12-29(61)62/h17-26,32-33,57-58H,5-16,44-45H2,1-4H3,(H2,46,59)(H2,47,60)(H,48,74)(H,49,67)(H,50,69)(H,51,73)(H,52,75)(H,53,70)(H,54,71)(H,55,72)(H,56,68)(H,61,62)(H,63,64)(H,65,66)(H,76,77)