(2S)-2-aminobutanedioic acid; (1S,3R,4E,6E,8E,10Z,12Z,14E,16E,23R,27R,29R,31S,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[(2-dimethylaminoacetyl)amino]-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-N-(2-dimethylaminoethyl)-23,27,29,31,33,35,37-heptahydroxy-19-[(2S)-5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxamide

Molecular Formula: C75H117N7O27


InChI: InChI=1/C67H103N5O19.2C4H7NO4/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*5-2(4(8)9)1-3(6)7/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2H,1,5H2,(H,6,7)(H,8,9)/b10-9+,13-11+,14-12+,17-15+,18-16-,21-19+,22-20-;;/t42u,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64?,66-,67+;2*2-/m000/s1/f/h69-70H;2*6,8H

InChIKey: InChIKey=HJBVLNMWGIWYNV-VRFDDOBPDP
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN(C)C)O.C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O

Names:
    (2S)-2-aminobutanedioic acid; (1S,3R,4E,6E,8E,10Z,12Z,14E,16E,23R,27R,29R,31S,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[(2-dimethylaminoacetyl)amino]-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-N-(2-dimethylaminoethyl)-23,27,29,31,33,35,37-heptahydroxy-19-[(2S)-5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxamide
    143563-20-6

Registries:
    PubChem CID 6436242
    PubChem ID 215395