Try beta.chemspider
- 8 of 9 defined stereocentres
[(3S,6S,9S,12S,15S,18S,21S)-21-(3-Amino-3-oxopropyl)-3-[(2S)-2-butanyl]-6,15,18-triisobutyl-12-isopropyl-25-(9-methyldecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa n-9-yl]acetic acid
O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)CC)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)N)CCCCCCCCC(C)C
InChI=1S/C52H92N8O12/c1-13-34(12)45-52(71)72-35(21-19-17-15-14-16-18-20-29(2)3)27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-30(4)5)47(66)56-38(25-31(6)7)49(68)59-44(33(10)11)51(70)58-40(28-43(63)64)48(67)57-39(26-32(8)9)50(69)60-45/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34-,35?,36-,37-,38-,39-,40-,44-,45-/m0/s1
IYQZIEHADMFKMZ-DJGVRXHHSA-N
CSID:8073687, http://www.chemspider.com/Chemical-Structure.8073687.html (accessed 20:03, Jul 6, 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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