2-[16-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-3,22-bis(hydroxymethyl)-19-[(4-hydroxyphenyl)-oxidanyl-methyl]-27-oxidanyl-2,5,8,12,15,18,21,24-octakis(oxidanylidene)-10-(3-oxidanylpentadecyl)-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-oxidanyl-ethanamide

Systemtic Name: 2-[16-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-3,22-bis(hydroxymethyl)-19-[(4-hydroxyphenyl)-oxidanyl-methyl]-27-oxidanyl-2,5,8,12,15,18,21,24-octakis(oxidanylidene)-10-(3-oxidanylpentadecyl)-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-oxidanyl-ethanamide Openeye Name: 2-[16-(2-amino-1-hydroxy-2-oxo-ethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-3,22-bis(hydroxymethyl)-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaoxo-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxy-acetamide CAS Name: 2-[16-(2-amino-1-hydroxy-2-oxoethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-3,22-bis(hydroxymethyl)-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaoxo-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxyacetamide IUPAC Name: 2-[16-(2-amino-1-hydroxy-2-oxoethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-3,22-bis(hydroxymethyl)-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaoxo-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxyacetamide Traditional Name: 2-[16-(2-amino-1-hydroxy-2-keto-ethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaketo-3,22-dimethylol-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxy-acetamide Formula: C48H76N10O18 MolecularWeight: 1081.17324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC1CC(=O)NCC(=O)NC(C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C(=O)N)O)C(C(=O)N)O)C(C3=CC=C(C=C3)O)O)CO)O)CO)O

Isomeric SMILES

CCCCCCCCCCCCC(CCC1CC(=O)NCC(=O)NC(C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C(=O)N)O)C(C(=O)N)O)C(C3=CC=C(C=C3)O)O)CO)O)CO)O

InChI

InChI=1S/C48H76N10O18/c1-2-3-4-5-6-7-8-9-10-11-12-27(61)18-15-26-19-33(64)51-21-34(65)53-31(24-60)48(76)58-22-29(63)20-32(58)44(72)54-30(23-59)43(71)55-35(38(66)25-13-16-28(62)17-14-25)46(74)57-37(40(68)42(50)70)47(75)56-36(45(73)52-26)39(67)41(49)69/h13-14,16-17,26-27,29-32,35-40,59-63,66-68H,2-12,15,18-24H2,1H3,(H2,49,69)(H2,50,70)(H,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,71)(H,56,75)(H,57,74)