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Name: DM1-SMCC CAS#: 1228105-51-8 Chemical Formula: C51H66ClN5O16S Exact Mass: 1071.39138 Molecular Weight: 1072.618 Elemental Analysis: C, 57.11; H, 6.20; Cl, 3.30; N, 6.53; O, 23.87; S, 2.99 |
Technical Information |
Synonym: DM1-SMCC; DM1 SMCC; DM1SMCC. SMCC-DM1. IUPAC/Chemical Name: 2, 5-dioxopyrrolidin-1-yl 4-((3-((3-(((2S)-1-(((14S, 16S, 33S, 2R, 4R, 10E, 12Z, 14R)-86-chloro-14-hydroxy-85, 14-dimethoxy-33, 2, 7, 10-tetramethyl-12, 6-dioxo-7-aza-1(6, 4)-oxazinana-3(2, 3)-oxirana-8(1, 3)-benzenacyclotetradecaphane-10, 12-dien-4-yl)oxy)-1-oxopropan-2-yl)(methyl)amino)-3-oxopropyl)thio)-2, 5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate InChi Key: IADUWZMNTKHTIN-IOBAKXROSA-N InChi Code: InChI=1S/C51H66ClN5O16S/c1-27-10-9-11-37(69-8)51(67)25-35(70-49(66)53-51)28(2)45-50(4, 72-45)38(24-42(61)55(6)33-21-31(20-27)22-34(68-7)44(33)52)71-47(64)29(3)54(5)39(58)18-19-74-36-23-43(62)56(46(36)63)26-30-12-14-32(15-13-30)48(65)73-57-40(59)16-17-41(57)60/h9-11, 21-22, 28-30, 32, 35-38, 45, 67H, 12-20, 23-26H2, 1-8H3, (H, 53, 66)/b11-9-, 27-10+/t28-, 29+, 30?, 32?, 35+, 36?, 37-, 38-, 45?, 50+, 51+/m1/s1 SMILES Code: C[CH]1[CH]2C[C](NC(O2)=O)(O)[CH](OC)/C=C\C=C(C)\CC3=CC(N(C)C(C[CH](OC([CH](N(C(CCSC(C(N4CC5CCC(C(ON6C(CCC6=O)=O)=O)CC5)=O)CC4=O)=O)C)C)=O)[C]7(C)C1O7)=O)=C(Cl)C(OC)=C3 |