Nazwa analitu

N2'-Deacetyl-N2'-[3-[(1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio]-1-oxopropyl]-maytansine-13CD3

Wzór cząsteczkowy

13C C40 D3 H52 Cl N4 O12 S

Masa cząsteczkowa

867.424

Dokładna masa

866.345

SMILES

[2H][13C]([2H])([2H])N([C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(C\C(=C\C=C\[C@@H](OC)[C@@]3(O)C[C@H](OC(=O)N3)[C@@H](C)[C@@H]4O[C@@]14C)\C)cc(OC)c2Cl)C(=O)CCSC5CC(=O)N(CC)C5=O

InChI

InChI=1S/C41H55ClN4O12S/c1-10-46-34(49)19-29(37(46)50)59-15-14-32(47)44(6)24(4)38(51)57-31-20-33(48)45(7)26-17-25(18-27(54-8)35(26)42)16-22(2)12-11-13-30(55-9)41(53)21-28(56-39(52)43-41)23(3)36-40(31,5)58-36/h11-13,17-18,23-24,28-31,36,53H,10,14-16,19-21H2,1-9H3,(H,43,52)/b13-11+,22-12+/t23-,24+,28+,29?,30-,31+,36+,40+,41+/m1/s1/i6+1D3

IUPAC

[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl-(trideuterio(113C)methyl)amino]propanoate

Typ SIL

Carbon, Deuterium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Rodzaj produktu

Stable Isotope Labelled

Postać produktu

Neat