- 8 of 8 defined stereocentres
N-Methylglycyl-L-arginyl-L-valyl-N-[(3R,6R,11R,13S)-13-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(1H-imidazol-4-ylmethyl)-2,5-dioxo-9,10-dithia-1,4-diazabicyclo[9.2.1]tetradec-6-yl]-L-tyrosinamide
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]2CCSS[C@@H]3C[C@H](N(C3)C(=O)[C@H](NC2=O)Cc4c[nH]cn4)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
InChI=1S/C47H65N13O10S2/c1-26(2)39(59-41(64)32(54-38(62)23-50-3)10-7-16-52-47(48)49)44(67)56-34(18-28-11-13-30(61)14-12-28)42(65)55-33-15-17-71-72-31-21-37(43(66)58-36(46(69)70)19-27-8-5-4-6-9-27)60(24-31)45(68)35(57-40(33)63)20-29-22-51-25-53-29/h4-6,8-9,11-14,22,25-26,31-37,39,50,61H,7,10,15-21,23-24H2,1-3H3,(H,51,53)(H,54,62)(H,55,65)(H,56,67)(H,57,63)(H,58,66)(H,59,64)(H,69,70)(H4,48,49,52)/t31-,32+,33-,34+,35-,36+,37+,39+/m1/s1
JZXQDBMJUNCYMZ-WJUFRMEASA-N
CSID:23181118, http://www.chemspider.com/Chemical-Structure.23181118.html (accessed 23:46, Apr 19, 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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