9H-fluoren-9-ylmethyl N-[2-[[10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-2,5,9,13-tetrakis(oxidanylidene)-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[2-[[10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-2,5,9,13-tetrakis(oxidanylidene)-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-oxidanylidene-ethyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[2-[[10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxo-propyl]carbamoyl]-2,5,9,13-tetraoxo-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[10-[[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]amino]-oxomethyl]-2,5,9,13-tetraoxo-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-oxoethyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]carbamoyl]-2,5,9,13-tetraoxo-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-oxoethyl]carbamate Traditional Name: N-[2-keto-2-[[2,5,9,13-tetraketo-10-[[3-keto-3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]propyl]carbamoyl]-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C46H57N9O10 MolecularWeight: 895.99908

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC=C2OCCCNC(=O)CCNC(=O)C3(CNC(=O)CCNC(=O)CNC(=O)CCNC3=O)CNC(=O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CN1CCC2=C(C1)C=CC=C2OCCCNC(=O)CCNC(=O)C3(CNC(=O)CCNC(=O)CNC(=O)CCNC3=O)CNC(=O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C46H57N9O10/c1-55-22-17-31-30(26-55)8-6-13-37(31)64-23-7-18-47-38(56)15-20-49-43(61)46(28-53-40(58)14-19-48-41(59)24-51-39(57)16-21-50-44(46)62)29-54-42(60)25-52-45(63)65-27-36-34-11-4-2-9-32(34)33-10-3-5-12-35(33)36/h2-6,8-13,36H,7,14-29H2,1H3,(H,47,56)(H,48,59)(H,49,61)(H,50,62)(H,51,57)(H,52,63)(H,53,58)(H,54,60)