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

Systemtic Name: 1-[2-[[2-[[2-[[2-[[5-azanyl-2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[[2-[[5-amino-2-[[[1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]proline Formula: C45H63N13O10S MolecularWeight: 978.12782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CS)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)N

InChI

InChI=1S/C45H63N13O10S/c1-25(2)16-31(39(61)56-34(22-69)41(63)55-33(19-28-21-49-24-51-28)44(66)58-15-7-11-36(58)45(67)68)53-40(62)32(17-26-8-4-3-5-9-26)54-38(60)30(12-13-37(47)59)52-42(64)35-10-6-14-57(35)43(65)29(46)18-27-20-48-23-50-27/h3-5,8-9,20-21,23-25,29-36,69H,6-7,10-19,22,46H2,1-2H3,(H2,47,59)(H,48,50)(H,49,51)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H,67,68)