[4-[(1S,2R,3R)-1-chloranyl-3-[(3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-oxidanyl-butyl]phenyl]methyl 2-azanylethanoate

Systemtic Name: [4-[(1S,2R,3R)-1-chloranyl-3-[(3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-oxidanyl-butyl]phenyl]methyl 2-azanylethanoate Openeye Name: [4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6,6-dimethyl-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxy-butyl]phenyl]methyl 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxybutyl]phenyl]methyl ester IUPAC Name: [4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxybutyl]phenyl]methyl 2-aminoacetate Traditional Name: 2-aminoacetic acid [4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-2,5,9,12-tetraketo-6,6-dimethyl-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxy-butyl]benzyl] ester Formula: C39H51Cl2N3O10 MolecularWeight: 792.74234

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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(C(C3=CC=C(C=C3)COC(=O)CN)Cl)O

Isomeric SMILES

C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC(=C(C=C2)OC)Cl)[C@H]([C@H](C3=CC=C(C=C3)COC(=O)CN)Cl)O

InChI

InChI=1S/C39H51Cl2N3O10/c1-22(2)16-31-37(49)53-29(23(3)35(47)34(41)26-13-10-24(11-14-26)20-52-33(46)19-42)8-7-9-32(45)44-28(18-25-12-15-30(51-6)27(40)17-25)36(48)43-21-39(4,5)38(50)54-31/h7,9-15,17,22-23,28-29,31,34-35,47H,8,16,18-21,42H2,1-6H3,(H,43,48)(H,44,45)/b9-7+/t23-,28+,29-,31-,34-,35+/m0/s1