N-[4-azanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]-6-methyl-heptanamide

Systemtic Name: N-[4-azanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]-6-methyl-heptanamide Openeye Name: N-[3-amino-1-[[2-hydroxy-1-[[1-(hydroxymethyl)-2-oxo-2-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-heptanamide CAS Name: N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide IUPAC Name: N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide Traditional Name: N-[3-amino-1-[[2-hydroxy-1-[[2-keto-1-methylol-2-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-isobutyl-2,5,8,11,14,17,20-heptaketo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-enanthamide Formula: C49H91N15O15 MolecularWeight: 1130.33834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)C(C)O)CCN)CCN)C(C)O

Isomeric SMILES

CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)C(C)O)CCN)CCN)C(C)O

InChI

InChI=1S/C49H91N15O15/c1-24(2)10-8-9-11-36(69)55-29(12-17-50)43(73)63-39(28(7)68)49(79)61-35(23-65)46(76)58-33-16-21-54-47(77)37(26(5)66)62-44(74)32(15-20-53)57-40(70)31(14-19-52)59-48(78)38(27(6)67)64-45(75)34(22-25(3)4)60-41(71)30(13-18-51)56-42(33)72/h24-35,37-39,65-68H,8-23,50-53H2,1-7H3,(H,54,77)(H,55,69)(H,56,72)(H,57,70)(H,58,76)(H,59,78)(H,60,71)(H,61,79)(H,62,74)(H,63,73)(H,64,75)