化学式

CAS号

IUPAC Name

丙-2-烯基(2R)-2-[[(2R)-2-[[(2R)-4-[[(2R,3R,4S,5S,6R)-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]-3-乙酰氨基-5-乙酰氧基-6-(羟甲基)四氢吡喃-2-基]氨基]-2-[[(2R)-4-甲基-2-[[(2R)-2-(phenylmethoxymethylamino)丙酰基]氨基]丁酰基]氨基]-4-oxobutanoyl]氨基]-4- prop-2-enyl (2R)-2-[[(2R)-2-[[(2R)-4-[[(2R,3R,4S,5S,6R)-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]oxy]-3-acetamido-5-acetyloxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[[(2R)-4-methyl-2-[[(2R)-2-(phenylmethoxymethylamino)propanoyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentyl]amino]-3-phenylmethoxybutanoate

InChI

InChI=1S/C60H87N7O21/c1-11-22-80-58(77)47(35(7)81-30-40-20-16-13-17-21-40)61-26-41(23-32(2)3)64-55(75)43(66-56(76)42(24-33(4)5)65-54(74)34(6)62-31-79-29-39-18-14-12-15-19-39)25-46(73)67-57-48(63-36(8)70)51(49(82-37(9)71)44(27-68)84-57)86-59-53(83-38(10)72)52-50(45(28-69)85-59)87-60(78)88-52/h11-21,32-35,41-45,47-53,57,59,61-62,68-69H,1,22-31H2,2-10H3,(H,63,70)(H,64,75)(H,65,74)(H,66,76)(H,67,73)/t34-,35?,41-,42-,43-,44-,45-,47-,48-,49-,50+,51+,52+,53-,57-,59+/m1/s1

InChI Key

ITEZOOPFVAFKMQ-JRLLQUFESA-N

Canonical SMILES

CC(C)CC(CNC(C(C)OCC1=CC=CC=C1)C(=O)OCC=C)NC(=O)C(CC(=O)NC2C(C(C(C(O2)CO)OC(=O)C)OC3C(C4C(C(O3)CO)OC(=O)O4)OC(=O)C)NC(=O)C)NC(=O)C(CC(C)C)NC(=O)C(C)NCOCC5=CC=CC=C5

别名