2-[[3-(4-hydroxyphenyl)-2-[[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[[1-[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanoyl]amino]propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[3-(4-hydroxyphenyl)-2-[[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[[1-[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanoyl]amino]propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[4-hydroxy-2-[[5-hydroxy-2-[[1-[4-hydroxy-2-[[5-hydroxy-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[4-hydroxy-2-[[5-hydroxy-2-[[[1-[4-hydroxy-2-[[5-hydroxy-1,5-dioxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[4-hydroxy-2-[[5-hydroxy-2-[[1-[4-hydroxy-2-[[5-hydroxy-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[4-hydroxy-2-[[5-hydroxy-2-[[1-[4-hydroxy-2-[[5-hydroxy-5-keto-2-(prolylamino)pentanoyl]amino]-4-keto-butanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]succinic acid Formula: C41H54N8O20 MolecularWeight: 978.90906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C41H54N8O20/c50-20-7-5-19(6-8-20)15-24(37(64)48-27(41(68)69)18-33(59)60)45-38(65)25(16-31(55)56)46-35(62)23(10-12-30(53)54)44-39(66)28-4-2-14-49(28)40(67)26(17-32(57)58)47-36(63)22(9-11-29(51)52)43-34(61)21-3-1-13-42-21/h5-8,21-28,42,50H,1-4,9-18H2,(H,43,61)(H,44,66)(H,45,65)(H,46,62)(H,47,63)(H,48,64)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,68,69)