9H-fluoren-9-ylmethyl N-[2-[[9-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-3,6,10,14-tetrakis(oxidanylidene)-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[2-[[9-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-3,6,10,14-tetrakis(oxidanylidene)-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]-2-oxidanylidene-ethyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[2-[[9-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxo-propyl]carbamoyl]-3,6,10,14-tetraoxo-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[9-[[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]amino]-oxomethyl]-3,6,10,14-tetraoxo-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]-2-oxoethyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[9-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]carbamoyl]-3,6,10,14-tetraoxo-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]-2-oxoethyl]carbamate Traditional Name: N-[2-keto-2-[[3,6,10,14-tetraketo-9-[[3-keto-3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]propyl]carbamoyl]-1,4,7,11-tetrazacyclotetradec-9-yl]methylamino]ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C45H55N9O10 MolecularWeight: 881.9725

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C45H55N9O10/c1-54-20-16-30-29(25-54)8-6-13-36(30)63-21-7-17-46-37(55)14-18-47-42(60)45(27-52-40(58)23-50-39(57)22-49-38(56)15-19-48-43(45)61)28-53-41(59)24-51-44(62)64-26-35-33-11-4-2-9-31(33)32-10-3-5-12-34(32)35/h2-6,8-13,35H,7,14-28H2,1H3,(H,46,55)(H,47,60)(H,48,61)(H,49,56)(H,50,57)(H,51,62)(H,52,58)(H,53,59)