Try beta.chemspider
- 7 of 7 defined stereocentres
- Non-standard isotope
N-{(6R,9S,10R,13S,15aS,22S,24aS)-22-[4-(Dimethylamino)benzyl]-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclonon adecin-9-yl}-3-hydroxy-2-(~2~H_3_)pyridinecarboxamide
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC3=CC=C(C=C3)N(C)C)C(=O)N4CCC(=O)C[C@H]4C(=N[C@@H](C5=CC=CC=C5)C(=O)O[C@H](C)[C@@H](C(=N1)O)N=C(C6=C(C([2H])=C([2H])C([2H])=N6)O)O)O [2H]c1c(c(c(nc1[2H])C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)CCN3C(=O)[C@@H](N(C(=O)[C@@H]4CCCN4C(=O)[C@H](NC2=O)CC)C)Cc5ccc(cc5)N(C)C)c6ccccc6)C)O)[2H]
InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31-,32+,33+,34+,36+,37+/m1/s1/i10D,15D,21D
YGXCETJZBDTKRY-DDLLATLTSA-N
CSID:58785048, http://www.chemspider.com/Chemical-Structure.58785048.html (accessed 22:26, Jul 1, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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