Catalog Number:
AG00GU8D
Chemical Name:
Ecteinascidin-Analog-1
CAS Number:
874758-58-4
Molecular Formula:
C31H44N2O9
Molecular Weight:
588.6891
MDL Number:
MFCD28385838
IUPAC Name:
tert-butyl (4R)-4-[(1R,3S)-3-(acetyloxymethyl)-7-methoxy-6-methyl-8-prop-2-enoxy-2-prop-2-enoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C31H44N2O9/c1-11-13-38-27-24-21(15-19(3)26(27)37-10)16-22(17-40-20(4)34)32(28(35)39-14-12-2)25(24)23-18-41-31(8,9)33(23)29(36)42-30(5,6)7/h11-12,15,22-23,25H,1-2,13-14,16-18H2,3-10H3/t22-,23-,25-/m0/s1
InChI Key:
UJXIWGNJNRZJKF-LSQMVHIFSA-N
SMILES:
C=CCOC(=O)N1[C@H](COC(=O)C)Cc2c([C@@H]1[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)c(OCC=C)c(c(c2)C)OC
