IUPAC Name
methyl (4S)-4-[[(2S)-2-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]-4-methoxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[(5-fluoro-1-methoxy-1,4-dioxopentan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
Synonyms
6-FAM-D(OMe)E(OMe)VD(OMe)-FMK; L-Valinamide, N-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)carbonyl]-L-α-aspartyl-L-α-glutamyl-N-[1-(2-fluoroacetyl)-3-methoxy-3-oxopropyl]-, 1,2-dimethyl ester; Methyl (8S,11S,14S)-14-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbonyl]amino}-5-(fluoroacetyl)-8-isopropyl-11-(3-methoxy-3-oxopropyl)-3,7,10,13-tetraoxo-2-oxa-6,9,12-triazahexadecan-16-oate
Appearance
Yellow Lyophilized Powder
Density
1.47±0.1 g/cm3 (Predicted)
Boiling Point
1193.3±65.0°C (Predicted)
Sequence
6-FAM-Asp(OMe)-Glu(OMe)-Val-DL-Asp(OMe)-FMK
Solubility
Soluble in Acetic Acid
InChI
InChI=1S/C43H45FN4O16/c1-20(2)37(41(58)46-29(31(51)19-44)17-35(53)61-4)48-39(56)28(12-13-34(52)60-3)45-40(57)30(18-36(54)62-5)47-38(55)21-6-9-24-27(14-21)43(64-42(24)59)25-10-7-22(49)15-32(25)63-33-16-23(50)8-11-26(33)43/h6-11,14-16,20,28-30,37,49-50H,12-13,17-19H2,1-5H3,(H,45,57)(H,46,58)(H,47,55)(H,48,56)/t28-,29?,30-,37-/m0/s1
InChI Key
RTQMMCFXNFLOLD-MOPYTGIUSA-N
Canonical SMILES
CC(C)C(C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)C(CCC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
