(3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-13-methyl-17,23,25,27-tetrakis(oxidanyl)-15,19-bis(oxidanylidene)-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide

Systemtic Name: (3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-13-methyl-17,23,25,27-tetrakis(oxidanyl)-15,19-bis(oxidanylidene)-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Openeye Name: (3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-13-methyl-15,19-dioxo-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide CAS Name: (3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-17,23,25,27-tetrahydroxy-13-methyl-15,19-dioxo-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide IUPAC Name: (3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-13-methyl-15,19-dioxo-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Traditional Name: (3R,4E,6E,8E,10E,13S,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-diketo-13-methyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Formula: C37H58N2O13 MolecularWeight: 738.86202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(=O)CCCC(CC2(CC(C(C(O2)CC(C=CC=CC=CC=CCC(OC1=O)C)OC3C(C(C(C(O3)C)O)N)O)C(=O)N)O)O)O)O

Isomeric SMILES

CC[C@@H]1[C@@H](CC(=O)CCC[C@H](C[C@@]2(C[C@@H]([C@H](C(O2)C[C@H](/C=C/C=C/C=C/C=C/C[C@@H](OC1=O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O)C(=O)N)O)O)O)O

InChI

InChI=1S/C37H58N2O13/c1-4-26-27(42)17-23(40)14-12-15-24(41)19-37(48)20-28(43)30(34(39)46)29(52-37)18-25(51-36-33(45)31(38)32(44)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,41-45,48H,4,12-15,17-20,38H2,1-3H3,(H2,39,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22+,24+,25-,26+,27+,28-,29?,30+,31-,32+,33-,36-,37+/m0/s1