(3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-16-[(E,2R)-4-(4-methoxyphenyl)but-3-en-2-yl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Systemtic Name: (3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-16-[(E,2R)-4-(4-methoxyphenyl)but-3-en-2-yl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Openeye Name: (3S,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-16-[(E,1R)-3-(4-methoxyphenyl)-1-methyl-allyl]-6,6-dimethyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone CAS Name: (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-[(E,2R)-4-(4-methoxyphenyl)but-3-en-2-yl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone IUPAC Name: (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-[(E,2R)-4-(4-methoxyphenyl)but-3-en-2-yl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Traditional Name: (3S,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-16-[(E,1R)-3-(4-methoxyphenyl)-1-methyl-allyl]-6,6-dimethyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone Formula: C37H47ClN2O8 MolecularWeight: 683.23068

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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)OC)Cl)C(C)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](/C=C/C1=CC=C(C=C1)OC)[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)OC)Cl

InChI

InChI=1S/C37H47ClN2O8/c1-23(2)19-32-35(43)47-30(24(3)11-12-25-13-16-27(45-6)17-14-25)9-8-10-33(41)40-29(21-26-15-18-31(46-7)28(38)20-26)34(42)39-22-37(4,5)36(44)48-32/h8,10-18,20,23-24,29-30,32H,9,19,21-22H2,1-7H3,(H,39,42)(H,40,41)/b10-8+,12-11+/t24-,29-,30+,32+/m1/s1