Try beta.chemspider
- 11 of 12 defined stereocentres
(2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydroxy-propanoyl]3,4-dihydro-1H-isoquinoline-3-carbonyl]2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-guanidino-pentanoic acid
O=C(O)[C@@H](NC(=O)[C@H]6N(C(=O)[C@@H]5N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)[C@H]1N(C(=O)[C@@H](NC(=O)C(N)CCC/N=C(\N)N)CCC/N=C(\N)N)CCC1)C[C@H](O)C2)Cc3sccc3)CO)Cc4ccccc4C5)[C@H]7CCCC[C@H]7C6)CCC/N=C(\N)N
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+/m0/s1
QURWXBZNHXJZBE-RVQAETMZSA-N
CSID:8009379, http://www.chemspider.com/Chemical-Structure.8009379.html (accessed 23:20, Apr 30, 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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