9H-fluoren-9-ylmethyl N-[4-[[(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[4-[[(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[4-[[(3S,10R,13E,16S)-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamate CAS Name: N-[4-[[(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[4-[[(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamate Traditional Name: N-[4-[[(3S,10R,13E,16S)-3-isobutyl-2,5,9,12-tetraketo-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-10-yl]methyl]phenyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C50H55N3O8 MolecularWeight: 825.987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC=C(C=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(C)C=CC6=CC=CC=C6

Isomeric SMILES

C[C@H](/C=C/C1=CC=CC=C1)[C@@H]2C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O2)CC(C)C)(C)C)CC3=CC=C(C=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C50H55N3O8/c1-32(2)28-44-47(56)60-43(33(3)22-23-34-14-7-6-8-15-34)20-13-21-45(54)53-42(46(55)51-31-50(4,5)48(57)61-44)29-35-24-26-36(27-25-35)52-49(58)59-30-41-39-18-11-9-16-37(39)38-17-10-12-19-40(38)41/h6-19,21-27,32-33,41-44H,20,28-31H2,1-5H3,(H,51,55)(H,52,58)(H,53,54)/b21-13+,23-22+/t33-,42-,43+,44+/m1/s1