2-[[6-azanyl-2-[[4-azanyl-2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[4-azanyl-2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[[1-(2-amino-3-hydroxy-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)prolyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]-4-methyl-valeric acid Formula: C44H75N13O18 MolecularWeight: 1074.1426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CO)N

InChI

InChI=1S/C44H75N13O18/c1-19(2)13-27(44(74)75)53-35(65)23(9-6-7-11-45)49-36(66)24(14-30(47)61)50-37(67)25(15-31(48)62)52-41(71)33(20(3)4)55-39(69)28(18-59)54-42(72)34(21(5)60)56-38(68)26(16-32(63)64)51-40(70)29-10-8-12-57(29)43(73)22(46)17-58/h19-29,33-34,58-60H,6-18,45-46H2,1-5H3,(H2,47,61)(H2,48,62)(H,49,66)(H,50,67)(H,51,70)(H,52,71)(H,53,65)(H,54,72)(H,55,69)(H,56,68)(H,63,64)(H,74,75)