化学式

CAS号

IUPAC Name

(NZ)-N-[[[(2R,3R,4S)-3-乙酰氨基-2-[(S)-[4-[4-[[[(S)-[(2R,3R,4S)-3-乙酰氨基-4-[[(Z)-N,N'-双[羟基(甲基)boranyl]甲脒基]氨基]-6-甲氧基羰基-3,4-二氢-2H-吡喃-2-基]-[(4R)-2-氧代-1,3-二氧杂烷-4-基]甲氧基]carbonylamino]甲基]苯基]苯基]methylcarbamoyloxy-[(4R)-2-氧代-1,3-二氧杂烷-4-基]甲基]-6-甲氧基羰基-3,4-二氢-2H-吡喃-4-基]氨基 (NZ)-N-[[[(2R,3R,4S)-3-acetamido-2-[(S)-[4-[4-[[[(S)-[(2R,3R,4S)-3-acetamido-4-[[(Z)-N,N'-bis[hydroxy(methyl)boranyl]carbamimidoyl]amino]-6-methoxycarbonyl-3,4-dihydro-2H-pyran-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]methyl]phenyl]phenyl]methylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-6-methoxycarbonyl-3,4-dihydro-2H-pyran-4-yl]amino]-[[hydroxy(methyl)boranyl]amino]methylidene]-methylboronamidic acid

InChI

InChI=1S/C48H64B4N10O22/c1-23(63)55-35-29(57-43(59-49(3)71)60-50(4)72)17-31(41(65)75-7)79-39(35)37(33-21-77-47(69)81-33)83-45(67)53-19-25-9-13-27(14-10-25)28-15-11-26(12-16-28)20-54-46(68)84-38(34-22-78-48(70)82-34)40-36(56-24(2)64)30(18-32(80-40)42(66)76-8)58-44(61-51(5)73)62-52(6)74/h9-18,29-30,33-40,71-74H,19-22H2,1-8H3,(H,53,67)(H,54,68)(H,55,63)(H,56,64)(H2,57,59,60)(H2,58,61,62)/t29-,30-,33+,34+,35+,36+,37+,38+,39+,40+/m0/s1

InChI Key

OOTQGLFWSYNWOH-BDFNJGKXSA-N

Canonical SMILES

B(C)(NC(=NB(C)O)NC1C=C(OC(C1NC(=O)C)C(C2COC(=O)O2)OC(=O)NCC3=CC=C(C=C3)C4=CC=C(C=C4)CNC(=O)OC(C5COC(=O)O5)C6C(C(C=C(O6)C(=O)OC)NC(=NB(C)O)NB(C)O)NC(=O)C)C(=O)OC)O

别名

• SCHEMBL13899653