2-[[2-[2-[[2-[[2-[[2-[[2-[[1-[2-[[4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[1-[2-[[4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[[4-amino-2-[(2-amino-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-(alanylamino)-4-amino-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]glutaric acid Formula: C44H68N12O23 MolecularWeight: 1133.07732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C)N

InChI

InChI=1S/C44H68N12O23/c1-17(2)10-21(52-41(75)27-6-5-9-56(27)43(77)26(16-57)54-38(72)22(11-28(46)59)50-35(69)18(3)45)37(71)51-25(14-33(67)68)40(74)55-34(19(4)58)42(76)53-23(12-31(63)64)36(70)47-15-29(60)48-24(13-32(65)66)39(73)49-20(44(78)79)7-8-30(61)62/h17-27,34,57-58H,5-16,45H2,1-4H3,(H2,46,59)(H,47,70)(H,48,60)(H,49,73)(H,50,69)(H,51,71)(H,52,75)(H,53,76)(H,54,72)(H,55,74)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,78,79)