2-[[1-[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-acetamidoethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-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-[[2-(2-acetamidoethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-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-[[2-[(2-acetamidoacetyl)amino]-5-guanidino-pentanoyl]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-[[2-[(2-acetamido-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]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-[[2-[(2-acetamidoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]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-[[2-[(2-acetamidoacetyl)amino]-5-guanidino-pentanoyl]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: C53H88N16O15 MolecularWeight: 1189.36402

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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)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C

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)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C

InChI

InChI=1S/C53H88N16O15/c1-26(2)17-34(63-47(78)37(21-42(73)74)66-46(77)36(20-32-22-56-25-60-32)65-44(75)33(13-11-15-57-53(54)55)62-41(72)23-58-31(10)70)45(76)64-35(18-27(3)4)48(79)68-43(29(7)8)50(81)59-24-40(71)61-30(9)51(82)69-16-12-14-39(69)49(80)67-38(52(83)84)19-28(5)6/h22,25-30,33-39,43H,11-21,23-24H2,1-10H3,(H,56,60)(H,58,70)(H,59,81)(H,61,71)(H,62,72)(H,63,78)(H,64,76)(H,65,75)(H,66,77)(H,67,80)(H,68,79)(H,73,74)(H,83,84)(H4,54,55,57)