1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-pentanoyl]amino]-4-isocyano-3-oxidanyl-butanoyl]-N-[4-acetamido-2-methyl-1-oxidanyl-5-oxidanylidene-5-[[3-oxidanyl-1-oxidanylidene-1-(3-oxidanylpyrrolidin-1-yl)butan-2-yl]amino]pentyl]-4-methyl-3-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-pentanoyl]amino]-4-isocyano-3-oxidanyl-butanoyl]-N-[4-acetamido-2-methyl-1-oxidanyl-5-oxidanylidene-5-[[3-oxidanyl-1-oxidanylidene-1-(3-oxidanylpyrrolidin-1-yl)butan-2-yl]amino]pentyl]-4-methyl-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-acetamido-1-hydroxy-5-[[2-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)propyl]amino]-2-methyl-5-oxo-pentyl]-1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-pentanoyl]amino]-3-hydroxy-4-isocyano-butanoyl]-3-hydroxy-4-methyl-pyrrolidine-2-carboxamide CAS Name: N-[4-acetamido-1-hydroxy-5-[[3-hydroxy-1-(3-hydroxy-1-pyrrolidinyl)-1-oxobutan-2-yl]amino]-2-methyl-5-oxopentyl]-1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-1-oxopentyl]amino]-3-hydroxy-4-isocyano-1-oxobutyl]-3-hydroxy-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-acetamido-1-hydroxy-5-[[3-hydroxy-1-(3-hydroxypyrrolidin-1-yl)-1-oxobutan-2-yl]amino]-2-methyl-5-oxopentyl]-1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methylpentanoyl]amino]-3-hydroxy-4-isocyanobutanoyl]-3-hydroxy-4-methylpyrrolidine-2-carboxamide Traditional Name: N-[4-acetamido-1-hydroxy-5-[[2-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)propyl]amino]-5-keto-2-methyl-pentyl]-1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-pentanoyl]amino]-3-hydroxy-4-isocyano-butanoyl]-3-hydroxy-4-methyl-pyrrolidine-2-carboxamide Formula: C41H62N8O13 MolecularWeight: 874.97678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1O)C(=O)NC(C(C)CC(C(=O)NC(C(C)O)C(=O)N2CCC(C2)O)NC(=O)C)O)C(=O)C(C(C[N+]#[C-])O)NC(=O)C(C(C)C(C)C3=CC=C(C=C3)O)NC(=O)C

Isomeric SMILES

CC1CN(C(C1O)C(=O)NC(C(C)CC(C(=O)NC(C(C)O)C(=O)N2CCC(C2)O)NC(=O)C)O)C(=O)C(C(C[N+]#[C-])O)NC(=O)C(C(C)C(C)C3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C41H62N8O13/c1-19(15-29(43-24(6)51)37(58)45-32(23(5)50)40(61)48-14-13-28(54)18-48)36(57)47-39(60)34-35(56)20(2)17-49(34)41(62)33(30(55)16-42-8)46-38(59)31(44-25(7)52)22(4)21(3)26-9-11-27(53)12-10-26/h9-12,19-23,28-36,50,53-57H,13-18H2,1-7H3,(H,43,51)(H,44,52)(H,45,58)(H,46,59)(H,47,60)