Try beta.chemspider
- 9 of 9 defined stereocentres
(4R)-1-{[(3S,6R,11R,14S,17R,22aS)-11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-y l]carbonyl}-4-hydroxy-L-prolyl-N~5~-(diaminomethylene)-L-ornithylglycinamide
c1ccc(cc1)C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc4ccc(cc4)O)N)C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)O)CC(=O)N
InChI=1S/C46H64N14O12S2/c47-28-22-73-74-23-33(45(72)60-21-27(62)18-35(60)43(70)54-29(8-4-14-52-46(50)51)39(66)53-20-37(49)64)58-41(68)31(19-36(48)63)56-42(69)34-9-5-15-59(34)44(71)32(17-24-6-2-1-3-7-24)57-40(67)30(55-38(28)65)16-25-10-12-26(61)13-11-25/h1-3,6-7,10-13,27-35,61-62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H,53,66)(H,54,70)(H,55,65)(H,56,69)(H,57,67)(H,58,68)(H4,50,51,52)/t27-,28+,29+,30+,31+,32-,33+,34+,35+/m1/s1
PSKIEMUWIQOKOB-HKEDMUDBSA-N
CSID:169149, http://www.chemspider.com/Chemical-Structure.169149.html (accessed 19:53, Apr 29, 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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