2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-(glycylamino)-3-methyl-butanoyl]prolyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C46H73N11O20 MolecularWeight: 1100.13352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CN

InChI

InChI=1S/C46H73N11O20/c1-21(2)14-26(42(72)55-29(46(76)77)15-22(3)4)54-41(71)25(10-12-35(63)64)52-40(70)24(9-11-34(61)62)53-43(73)28(17-37(67)68)51-32(59)19-48-39(69)27(16-36(65)66)50-33(60)20-49-44(74)30-8-7-13-57(30)45(75)38(23(5)6)56-31(58)18-47/h21-30,38H,7-20,47H2,1-6H3,(H,48,69)(H,49,74)(H,50,60)(H,51,59)(H,52,70)(H,53,73)(H,54,71)(H,55,72)(H,56,58)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,76,77)