ethyl 2-[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methylcarbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methylcarbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methylcarbamoylamino]acetate CAS Name: 2-[[[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-[(tert-butylamino)-oxomethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methylcarbamoylamino]acetate Traditional Name: 2-[[4-[(2R,4R,6S)-4-[[(2R,4aR,8aR)-2-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-6-(4-methylolphenyl)-1,3-dioxan-2-yl]benzyl]carbamoylamino]acetic acid ethyl ester Formula: C38H54N4O7 MolecularWeight: 678.85796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)C2OC(CC(O2)C3=CC=C(C=C3)CO)CN4C5CCCCC5CCC4C(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H](C[C@H](O2)C3=CC=C(C=C3)CO)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C

InChI

InChI=1S/C38H54N4O7/c1-5-47-34(44)22-40-37(46)39-21-25-10-16-29(17-11-25)36-48-30(20-33(49-36)28-14-12-26(24-43)13-15-28)23-42-31-9-7-6-8-27(31)18-19-32(42)35(45)41-38(2,3)4/h10-17,27,30-33,36,43H,5-9,18-24H2,1-4H3,(H,41,45)(H2,39,40,46)/t27-,30-,31-,32-,33+,36+/m1/s1