化学式

CAS号

IUPAC Name

(2R)-2-氨基-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-3-[(2R,3R,4R,5R,6R)-4,5-二羟基-6-甲基-3-(甲基氨基)四氢吡喃-2-基]氧基-7-羟基-2-(2-羟基-7-甲氧基-5-甲基萘-1-羰基)氧基-7-[(4R)-2-氧代-1,3-二氧杂烷-4-基]-2,3-二氢-1H-s-二戊环并苯-1-基]硫代]-1-oxopropan-2-基]氨基]-5-氧代戊酸 (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-7-hydroxy-2-(2-hydroxy-7-methoxy-5-methylnaphthalene-1-carbonyl)oxy-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

InChI

InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1

InChI Key

HZICOJKOTQKXNL-RKDHACFISA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C3=C2C=C4C=CC(C4=C3)(C5COC(=O)O5)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O

别名

• [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE
• Q27463742
• NCSI-GLU
• NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE
• D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine