Try beta.chemspider
- 6 of 7 defined stereocentres
N-[(3S,6R,9R,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
C[C@H]1NC(=O)C(CC2C=CC=CC=2)NC(=O)[C@H](NC(=O)[C@H](CC2C=CC=CC=2)NC(=O)C2=CC=CN2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](NC1=O)C1C=C(O)C=C(O)C=1)C1C=C(O)C=C(O)C=1
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-RBZLOGTMSA-N
CSID:78440253, http://www.chemspider.com/Chemical-Structure.78440253.html (accessed 03:11, 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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