9H-fluoren-9-ylmethyl N-[(6R,12S)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-3,3-dimethyl-5,13-bis(oxidanylidene)-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(6R,12S)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-3,3-dimethyl-5,13-bis(oxidanylidene)-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(6R,12S)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-3,3-dimethyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate CAS Name: N-[(6R,12S)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3,3-dimethyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(6R,12S)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3,3-dimethyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate Traditional Name: N-[(6R,12S)-5,13-diketo-6-[2-keto-2-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,3-dimethyl-1-oxa-4-azacyclotridec-8-en-12-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C40H45N3O7 MolecularWeight: 679.8012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C(CCC=CCC(C(=O)N1)CC(=O)N2CC3=CC=CC=C3CC2CO)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C

Isomeric SMILES

CC1(COC(=O)[C@H](CCC=CC[C@@H](C(=O)N1)CC(=O)N2CC3=CC=CC=C3C[C@H]2CO)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C

InChI

InChI=1S/C40H45N3O7/c1-40(2)25-50-38(47)35(41-39(48)49-24-34-32-17-10-8-15-30(32)31-16-9-11-18-33(31)34)19-5-3-4-13-27(37(46)42-40)21-36(45)43-22-28-14-7-6-12-26(28)20-29(43)23-44/h3-4,6-12,14-18,27,29,34-35,44H,5,13,19-25H2,1-2H3,(H,41,48)(H,42,46)/t27-,29+,35+/m1/s1