1-[2-[[2-acetamido-4-(4-hydroxyphenyl)-3-methyl-pentanoyl]amino]-5-azanyl-3-oxidanyl-5-oxidanylidene-pentanoyl]-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]-5-azanyl-3-oxidanyl-5-oxidanylidene-pentanoyl]-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]-5-amino-3-hydroxy-5-oxo-pentanoyl]-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]-5-amino-3-hydroxy-1,5-dioxopentyl]-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]-5-amino-3-hydroxy-5-oxopentanoyl]-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]-5-amino-3-hydroxy-5-keto-pentanoyl]-3-hydroxy-4-methyl-pyrrolidine-2-carboxamide Formula: C41H64N8O14 MolecularWeight: 892.99206

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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(CC(=O)N)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(CC(=O)N)O)NC(=O)C(C(C)C(C)C3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C41H64N8O14/c1-18(14-28(43-23(6)51)37(59)45-32(22(5)50)40(62)48-13-12-27(54)17-48)36(58)47-39(61)34-35(57)19(2)16-49(34)41(63)33(29(55)15-30(42)56)46-38(60)31(44-24(7)52)21(4)20(3)25-8-10-26(53)11-9-25/h8-11,18-22,27-29,31-36,50,53-55,57-58H,12-17H2,1-7H3,(H2,42,56)(H,43,51)(H,44,52)(H,45,59)(H,46,60)(H,47,61)