3-[[5-azanyl-2-[[2-[2-[2,6-bis(azanyl)hexanoylamino]propanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-[[3-methyl-1-[[1-[[1-[[1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[5-azanyl-2-[[2-[2-[2,6-bis(azanyl)hexanoylamino]propanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-[[3-methyl-1-[[1-[[1-[[1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[5-amino-2-[[2-[2-(2,6-diaminohexanoylamino)propanoylamino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-[[1-[[2-[[2-hydroxy-1-[[2-hydroxy-1-[[1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]propyl]carbamoyl]propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[5-amino-2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-[[1-[[3-hydroxy-1-[[3-hydroxy-1-[[3-hydroxy-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[5-amino-2-[[2-[2-(2,6-diaminohexanoylamino)propanoylamino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-[[1-[[3-hydroxy-1-[[3-hydroxy-1-[[3-hydroxy-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[5-amino-2-[[2-[2-(2,6-diaminohexanoylamino)propanoylamino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-[[1-[[2-[[2-hydroxy-1-[[2-hydroxy-1-[[1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]propyl]carbamoyl]propyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C45H79N13O19 MolecularWeight: 1106.18446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H79N13O19/c1-18(2)31(41(72)50-21(6)45(76)77)56-43(74)34(23(8)62)58-44(75)33(22(7)61)57-40(71)28(17-60)54-42(73)32(19(3)4)55-38(69)26(15-30(64)65)52-37(68)25(12-13-29(48)63)51-39(70)27(16-59)53-35(66)20(5)49-36(67)24(47)11-9-10-14-46/h18-28,31-34,59-62H,9-17,46-47H2,1-8H3,(H2,48,63)(H,49,67)(H,50,72)(H,51,70)(H,52,68)(H,53,66)(H,54,73)(H,55,69)(H,56,74)(H,57,71)(H,58,75)(H,64,65)(H,76,77)