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

Systemtic Name: 2-[[1-[2-[2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C43H71N11O12 MolecularWeight: 934.09034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)N

InChI

InChI=1S/C43H71N11O12/c1-21(2)13-28(50-38(60)30(17-34(56)57)49-36(58)27(44)16-26-18-45-20-47-26)37(59)51-29(14-22(3)4)39(61)53-35(24(7)8)41(63)46-19-33(55)48-25(9)42(64)54-12-10-11-32(54)40(62)52-31(43(65)66)15-23(5)6/h18,20-25,27-32,35H,10-17,19,44H2,1-9H3,(H,45,47)(H,46,63)(H,48,55)(H,49,58)(H,50,60)(H,51,59)(H,52,62)(H,53,61)(H,56,57)(H,65,66)