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[(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,20,22-tris(oxidanyl)-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate hydrochloride

[(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,20,22-tris(oxidanyl)-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate hydrochloride

Systemtic Name:[(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6,20,22-tris(oxidanyl)-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate hydrochloride
Openeye Name:[(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-dihydroxypropyl]amino]-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate hydrochloride
CAS Name:carbamic acid [(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-dihydroxypropyl]amino]-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] ester hydrochloride
IUPAC Name:[(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-dihydroxypropyl]amino]-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate hydrochloride
Traditional Name:carbamic acid [(3R,5R,6S,7S,8Z,10R,11R,12Z,14Z)-21-[[(2S)-2,3-dihydroxypropyl]amino]-6,20,22-trihydroxy-16-keto-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] ester hydrochloride
Formula: C31H48ClN3O10
MolecularWeight: 658.17992
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC(CO)O)O)C)OC)OC(=O)N)C)C)O)OC.Cl


Isomeric SMILES

C[C@H]1C[C@H]([C@H]([C@H](/C=C(\[C@H]([C@@H](/C=C\C=C(/C(=O)NC2=CC(=C(C(=C2O)C1)NC[C@@H](CO)O)O)\C)OC)OC(=O)N)/C)C)O)OC.Cl


InChI

InChI=1S/C31H47N3O10.ClH/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6;/h7-9,12-13,16,18,20,24-25,27,29,33,35-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40);1H/b9-7-,17-8-,19-12-;/t16-,18+,20+,24-,25-,27+,29-;/m1./s1


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