(3S,6R,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone

Systemtic Name: (3S,6R,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone Openeye Name: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone CAS Name: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone IUPAC Name: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone Traditional Name: (3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-diquinone Formula: C35H44ClN3O6 MolecularWeight: 638.19336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(NC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](NC1=O)CC(C)C)[C@H](C)/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C35H44ClN3O6/c1-22(2)18-29-35(43)45-30(23(3)14-15-25-10-7-6-8-11-25)12-9-13-32(40)38-28(34(42)37-21-24(4)33(41)39-29)20-26-16-17-31(44-5)27(36)19-26/h6-11,13-17,19,22-24,28-30H,12,18,20-21H2,1-5H3,(H,37,42)(H,38,40)(H,39,41)/b13-9+,15-14+/t23-,24-,28-,29+,30+/m1/s1