Try beta.chemspider
- 7 of 7 defined stereocentres
N-[(3R,6R,9R,12R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-Nalpha-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide
O=C(c1cccn1)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](c2cc(O)cc(O)c2)C(=O)N[C@H](c3cc(O)cc(O)c3)C(=O)O[C@@H]4C)C)Cc5ccccc5)Cc6ccccc6
InChI=1S/C46H47N7O12/c1-24-40(58)52-38(28-18-30(54)22-31(55)19-28)45(63)53-39(29-20-32(56)23-33(57)21-29)46(64)65-25(2)37(44(62)50-35(42(60)48-24)16-26-10-5-3-6-11-26)51-43(61)36(17-27-12-7-4-8-13-27)49-41(59)34-14-9-15-47-34/h3-15,18-25,35-39,47,54-57H,16-17H2,1-2H3,(H,48,60)(H,49,59)(H,50,62)(H,51,61)(H,52,58)(H,53,63)/t24-,25-,35-,36+,37-,38-,39-/m1/s1
BAIAJPQVHAPGNS-BTTFJQTNSA-N
CSID:8138434, http://www.chemspider.com/Chemical-Structure.8138434.html (accessed 03:01, Jul 4, 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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