CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

الاسم: Fmoc-Val-Pro doxorubicin

IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

SMILES:

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

الصيغة الجزيئية: C52H57N3O16

الوزن الجزيئي: 980.00

InChIKey: ZHPCWPRHBUAKMN-UPPSANTJSA-N

InChI:

InChI=1S/C27H29NO11.C25H28N2O5/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;1-15(2)22(23(28)27-13-7-12-21(27)24(29)30)26-25(31)32-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,26,31)(H,29,30)/t10-,13-,15-,17-,22+,27-;21-,22-/m00/s1

PubChem CID: 131729870 →

مرادفات

Fmoc-Val-Pro doxorubicinZHPCWPRHBUAKMN-UPPSANTJSA-N

بحث موسع

بحث البنية الفرعية→بحث التشابه→