(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-10-(phenylmethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Systemtic Name: (3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-10-(phenylmethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Openeye Name: (3S,10R,13E,16S)-10-benzyl-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone CAS Name: (3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-10-(phenylmethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone IUPAC Name: (3S,10R,13E,16S)-10-benzyl-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Traditional Name: (3S,10R,13E,16S)-10-benzyl-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone Formula: C35H44N2O6 MolecularWeight: 588.73366

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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=CC=C2)C(C)C=CC3=CC=CC=C3

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=CC=C3

InChI

InChI=1S/C35H44N2O6/c1-24(2)21-30-33(40)42-29(25(3)19-20-26-13-8-6-9-14-26)17-12-18-31(38)37-28(22-27-15-10-7-11-16-27)32(39)36-23-35(4,5)34(41)43-30/h6-16,18-20,24-25,28-30H,17,21-23H2,1-5H3,(H,36,39)(H,37,38)/b18-12+,20-19+/t25-,28-,29+,30+/m1/s1