(3S,6R,10R,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone

Systemtic Name: (3S,6R,10R,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone Openeye Name: (3S,6R,10R,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone CAS Name: (3S,6R,10R,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone IUPAC Name: (3S,6R,10R,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone Traditional Name: (3S,6R,10R,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-diquinone Formula: C35H45ClN2O8 MolecularWeight: 657.1934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(NC(=O)CCCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

C[C@@H]1CNC(=O)[C@H](NC(=O)CCC[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C35H45ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-8,10-11,14-15,17,20-22,26-27,29,31-32H,9,12-13,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/t21-,22+,26-,27+,29+,31-,32-/m1/s1