[(7R,8E,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 2-azanylethanoate hydrochloride

Systemtic Name: [(7R,8E,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 2-azanylethanoate hydrochloride Openeye Name: [(7R,8E,12Z,14E)-10-carbamoyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [(7R,8E,12Z,14E)-10-carbamoyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] ester hydrochloride IUPAC Name: [(7R,8E,12Z,14E)-10-carbamoyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [(7R,8E,12Z,14E)-10-carbamoyloxy-16,20,22-triketo-5,11,21-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] ester hydrochloride Formula: C31H44ClN3O10 MolecularWeight: 654.14816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CN)OC.Cl

Isomeric SMILES

C[C@@H]1/C=C(/C(C(/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C2=O)CC(CC(C1OC(=O)CN)OC)C)OC)/C)OC)OC(=O)N)\C.Cl

InChI

InChI=1S/C31H43N3O10.ClH/c1-16-11-20-26(37)21(14-22(35)29(20)42-7)34-30(38)17(2)9-8-10-23(40-5)27(44-31(33)39)18(3)13-19(4)28(24(12-16)41-6)43-25(36)15-32;/h8-10,13-14,16,19,23-24,27-28H,11-12,15,32H2,1-7H3,(H2,33,39)(H,34,38);1H/b10-8-,17-9+,18-13+;/t16?,19-,23?,24?,27?,28?;/m1./s1