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

Systemtic Name: 2-[[4-azanyl-2-[[2-[[4-azanyl-2-[[2-[2-[[4-azanyl-2-[[2-[[1-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[2-[[1-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[2-[[[1-[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[2-[[1-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C57H93N17O19 MolecularWeight: 1320.45082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H93N17O19/c1-9-28(7)45(72-49(84)32(13-14-44(80)81)66-47(82)31(58)16-26(3)4)56(91)74-15-11-12-39(74)55(90)71-38(24-75)54(89)68-35(19-40(59)76)48(83)63-23-43(79)65-33(17-27(5)6)50(85)69-36(20-41(60)77)52(87)67-34(18-30-22-62-25-64-30)51(86)70-37(21-42(61)78)53(88)73-46(57(92)93)29(8)10-2/h22,25-29,31-39,45-46,75H,9-21,23-24,58H2,1-8H3,(H2,59,76)(H2,60,77)(H2,61,78)(H,62,64)(H,63,83)(H,65,79)(H,66,82)(H,67,87)(H,68,89)(H,69,85)(H,70,86)(H,71,90)(H,72,84)(H,73,88)(H,80,81)(H,92,93)