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- 7 of 7 defined stereocentres
1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-L-arginylglycinamide
CCOc1ccc(cc1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N2)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)Cc4ccccc4
InChI=1S/C48H69N13O11S2/c1-4-72-30-16-14-29(15-17-30)23-32-42(66)57-33(22-28-10-6-5-7-11-28)44(68)60-40(27(2)3)46(70)58-34(24-37(49)62)43(67)59-35(26-74-73-21-18-39(64)55-32)47(71)61-20-9-13-36(61)45(69)56-31(12-8-19-53-48(51)52)41(65)54-25-38(50)63/h5-7,10-11,14-17,27,31-36,40H,4,8-9,12-13,18-26H2,1-3H3,(H2,49,62)(H2,50,63)(H,54,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H4,51,52,53)/t31-,32+,33-,34-,35-,36+,40+/m0/s1
YBCGTBVLMRQKFC-CWYFRLGTSA-N
CSID:23171820, http://www.chemspider.com/Chemical-Structure.23171820.html (accessed 15:46, Jul 2, 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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