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- 5 of 12 defined stereocentres
N~2~-[{1-[(2-{N-[(2S)-2-{[2-({[(4R)-1-{N~2~-[(2R)-2-Amino-5-carbamimidamido-1-hydroxypentylidene]arginylprolyl}-4-hydroxy-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxyethylidene]amino}-1-hydroxy- 3-(2-thienyl)propylidene]-L-seryl}-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]octahydro-1H-indol-2-yl}(hydroxy)methylene]-L-arginine
c1ccc2c(c1)CC(N(C2)C(=O)[C@H](CO)N=C([C@H](Cc3cccs3)N=C(CN=C(C4C[C@H](CN4C(=O)C5CCCN5C(=O)C(CCCNC(=N)N)N=C([C@@H](CCCNC(=N)N)N)O)O)O)O)O)C(=O)N6C7CCCCC7CC6C(=N[C@@H](CCCNC(=N)N)C(=O)O)O
InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35-,37-,38?,39+,40+,41+,42?,43?,44?,45?,46?/m1/s1
QURWXBZNHXJZBE-YZKFARTJSA-N
CSID:57642999, http://www.chemspider.com/Chemical-Structure.57642999.html (accessed 18:14, May 21, 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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