化学式

CAS号

IUPAC Name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5R,6R)-6-[[(3aS,4R,6R,7R,7aS)-4-[[(3aS,4R,6R,7R,7aS)-7-乙酰氧基-4-(羟甲基)-2-氧代-4,6,7,7a-四氢-3aH-[1,3]二氧代[4,5-c]吡喃-6-基]氧基甲基]-7-乙酰氧基-2-氧代-4,6,7,7a-四氢-3aH-[1,3]二氧代[4,5-c]吡喃-6-基]氧基甲基]-3-乙酰氨基-4,5-双(苄氧基)四氢吡喃-2-基]氨基]-2-[[(2 (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5R,6R)-6-[[(3aS,4R,6R,7R,7aS)-4-[[(3aS,4R,6R,7R,7aS)-7-acetyloxy-4-(hydroxymethyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl]-7-acetyloxy-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl]-3-acetamido-4,5-bis(phenylmethoxy)oxan-2-yl]amino]-2-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylmethoxypropanoyl]amino]-4-[[(2S)-4-methyl-1-oxo-1-[[(2S,3R)-1-oxo-3-phenylmethoxy-1-prop-2-enoxybutan-2-yl]amino]pentan-2-yl]amino]-4-oxobutanoic acid

InChI

InChI=1S/C99H126N10O35/c1-13-39-129-94(124)76(56(9)130-45-61-31-21-15-22-32-61)109-88(119)65(40-52(2)3)102-87(118)67(42-73(115)116)103-90(121)68(49-128-44-60-29-19-14-20-30-60)105-92(123)75(54(6)7)108-89(120)66(104-91(122)74(53(4)5)107-86(117)55(8)100-97(125)135-48-64-37-27-18-28-38-64)41-72(114)106-93-77(101-57(10)111)81(132-47-63-35-25-17-26-36-63)78(131-46-62-33-23-16-24-34-62)70(138-93)50-133-96-85(137-59(12)113)83-80(142-99(127)144-83)71(140-96)51-134-95-84(136-58(11)112)82-79(69(43-110)139-95)141-98(126)143-82/h13-38,52-56,65-71,74-85,93,95-96,110H,1,39-51H2,2-12H3,(H,100,125)(H,101,111)(H,102,118)(H,103,121)(H,104,122)(H,105,123)(H,106,114)(H,107,117)(H,108,120)(H,109,119)(H,115,116)/t55-,56+,65-,66-,67-,68-,69+,70+,71+,74-,75-,76-,77+,78-,79-,80-,81+,82-,83-,84+,85+,93+,95+,96+/m0/s1

InChI Key

LAVHZVWOJIYJCB-KEAKWLNLSA-N

Canonical SMILES

CC(C)CC(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)OCC=C)NC(=O)C(CC(=O)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC(=O)NC3C(C(C(C(O3)COC4C(C5C(C(O4)COC6C(C7C(C(O6)CO)OC(=O)O7)OC(=O)C)OC(=O)O5)OC(=O)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9)NC(=O)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

别名