4-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[[2-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[[2-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-5-keto-valeric acid Formula: C40H58N10O17 MolecularWeight: 950.94532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)O)N

InChI

InChI=1S/C40H58N10O17/c1-17(2)31(49-34(60)24(12-21-14-42-16-43-21)45-37(63)30(41)18(3)52)38(64)46-25(13-29(57)58)35(61)50-32(19(4)53)39(65)44-23(9-10-28(55)56)33(59)48-27(15-51)36(62)47-26(40(66)67)11-20-5-7-22(54)8-6-20/h5-8,14,16-19,23-27,30-32,51-54H,9-13,15,41H2,1-4H3,(H,42,43)(H,44,65)(H,45,63)(H,46,64)(H,47,62)(H,48,59)(H,49,60)(H,50,61)(H,55,56)(H,57,58)(H,66,67)