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- 8 of 8 defined stereocentres
- Non-standard isotope
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phenylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)(5-~3~H)-4-nonanyl]-Nal pha-methyl-L-histidinamide
O=C(NCc1ncccc1)[C@@H](NC(=O)[C@H](C(C)C)C[C@@]([3H])(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2)Cc3ccccc3)C)Cc4cncn4)CC(C)C)[C@@H](C)CC
InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42+,43-/m0/s1/i42T
SASWSEQJAITMKS-YNFZUEQRSA-N
CSID:8435713, http://www.chemspider.com/Chemical-Structure.8435713.html (accessed 22:26, Jul 7, 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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