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

Systemtic Name: 5-azanyl-2-[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-methyl-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C33H52N10O13 MolecularWeight: 796.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)N

InChI

InChI=1S/C33H52N10O13/c1-15(2)26(35)31(53)43-27(16(3)4)32(54)41-19(7-10-25(48)49)29(51)40-18(6-9-24(46)47)30(52)42-21(11-17-12-36-14-38-17)28(50)37-13-23(45)39-20(33(55)56)5-8-22(34)44/h12,14-16,18-21,26-27H,5-11,13,35H2,1-4H3,(H2,34,44)(H,36,38)(H,37,50)(H,39,45)(H,40,51)(H,41,54)(H,42,52)(H,43,53)(H,46,47)(H,48,49)(H,55,56)