About [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
[7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 162038501) has the molecular formula C133H213N33O25+4
and a molecular weight of 2674.37 g/mol. Its IUPAC name is [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide.
Frequently Asked Questions
What is the IUPAC name of [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide (CID 162038501) is [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide is CCN(CCOC)C(=O)CN(CCCn1cc(C2(O)CCC3C4CCc5cc(O)ccc5C4CCC32C)nn1)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCCn1cc(C2(O)CCC3C4CCc5cc(O)ccc5C4CCC32C)nn1)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CNCCCn1cc(C2(O)CCC3C4CCc5cc(O)ccc5C4CCC32C)nn1.COCCN(CC(=O)CC(CCC[NH+]=C(N)N)C(=O)NC(CCC[NH+]=C(N)N)C(=O)CC(CCC[NH+]=C(N)N)C(=O)NC(CCC[NH+]=C(N)N)C(N)=O)C(C)=O.
What is the InChIKey of [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is YWYQFKTVHFQDDZ-UHFFFAOYSA-R. The full InChI is InChI=1S/C100H145N17O18.C33H64N16O7/c1-10-108(44-49-131-5)89(122)61-109(39-12-42-116-59-86(103-106-116)99(129)36-30-83-80-21-15-68-55-71(119)18-24-74(68)77(80)27-33-96(83,99)3)90(123)64-113(47-52-134-8)94(127)66-114(48-53-135-9)92(125)62-110(40-13-43-117-60-87(104-107-117)100(130)37-31-84-81-22-16-69-56-72(120)19-25-75(69)78(81)28-34-97(84,100)4)91(124)65-112(46-51-133-7)93(126)63-111(45-50-132-6)88(121)57-101-38-11-41-115-58-85(102-105-115)98(128)35-29-82-79-20-14-67-54-70(118)17-23-73(67)76(79)26-32-95(82,98)2;1-20(50)49(15-16-56-2)19-23(51)17-21(7-3-11-43-30(35)36)28(54)47-24(9-5-13-45-32(39)40)26(52)18-22(8-4-12-44-31(37)38)29(55)48-25(27(34)53)10-6-14-46-33(41)42/h17-19,23-25,54-56,58-60,76-84,101,118-120,128-130H,10-16,20-22,26-53,57,61-66H2,1-9H3;21-22,24-25H,3-19H2,1-2H3,(H2,34,53)(H,47,54)(H,48,55)(H4,35,36,43)(H4,37,38,44)(H4,39,40,45)(H4,41,42,46)/p+4.
What are the key properties of [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
[7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 2674.37 g/mol, XLogP of -5.35, 76 rotatable bonds, 22 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[acetyl(2-methoxyethyl)amino]-4-[[7-[[1-amino-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneazaniumyl)-5-oxodecan-4-yl]carbamoyl]-6-oxoheptyl]-(diaminomethylidene)azanium;2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propylamino]-N-[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[[2-[[2-[3-[4-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)triazol-1-yl]propyl-[2-[ethyl(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 162038501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).