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

Systemtic Name: 1-[2-[2-[[2-[[1-[1-[4-azanyl-2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[[2-[[1-[1-[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[[[1-[[1-[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[[2-[[1-[1-[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[[2-[[1-[1-[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]prolyl]prolyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]proline Formula: C46H72N14O17 MolecularWeight: 1093.14748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)N

InChI

InChI=1S/C46H72N14O17/c1-22(2)13-27(43(73)60-12-6-9-33(60)46(76)77)52-35(66)17-50-38(68)26(14-24-16-49-21-51-24)53-41(71)31-7-4-10-58(31)45(75)32-8-5-11-59(32)44(74)28(15-34(48)65)54-39(69)29(19-62)56-42(72)36(23(3)64)57-40(70)30(20-63)55-37(67)25(47)18-61/h16,21-23,25-33,36,61-64H,4-15,17-20,47H2,1-3H3,(H2,48,65)(H,49,51)(H,50,68)(H,52,66)(H,53,71)(H,54,69)(H,55,67)(H,56,72)(H,57,70)(H,76,77)