|
Name: Mafodotin CAS#: 863971-19-1 Chemical Formula: C49H76N6O11 Exact Mass: 924.5572 Molecular Weight: 925.178 Elemental Analysis: C, 63.61; H, 8.28; N, 9.08; O, 19.02 |
Technical Information |
Synonym: SGD-1269; SGD 1269; SGD1269; mc-MMAF; mcMMAF; L4-MMAF; Maleimidocaproyl-MMAF; Maleimidocaproyl monomethylauristatin F; Mafodotin. Chemical Name: ((2R, 3R)-3-((S)-1-((3R, 4S, 5S)-4-((S)-2-((S)-2-(6-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)-N-methylhexanamido)-3-methylbutanamido)-N, 3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine InChi Key: ORFNVPGICPYLJV-YTVPMEHESA-N InChi Code: InChI=1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13, 15-16, 20-21, 24-25, 30-33, 35-37, 42-45H, 12, 14, 17-19, 22-23, 26-29H2, 1-11H3, (H, 50, 60)(H, 51, 61)(H, 63, 64)/t32-, 33+, 35-, 36-, 37+, 42-, 43-, 44-, 45+/m0/s1 SMILES Code: O=C(O)[CH](CC1=CC=CC=C1)NC([CH](C)[CH]([CH]2N(C(C[CH](OC)[CH](N(C)C([CH](NC([CH](N(C)C(CCCCCN3C(C=CC3=O)=O)=O)C(C)C)=O)C(C)C)=O)[CH](C)CC)=O)CCC2)OC)=O |