Try beta.chemspider
- 12 of 12 defined stereocentres
(2S,3R)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoic acid
O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CCC/N=C(\N)N)CCC1)CC(C)C)[C@H](O)C)Cc3c2ccccc2nc3)CCC(=O)N)[C@H](O)C)[C@H](O)C
InChI=1S/C50H80N14O14S/c1-24(2)21-34(59-45(73)36-14-10-19-64(36)48(76)33(13-9-18-55-50(53)54)58-41(69)30(51)17-20-79-6)44(72)62-38(25(3)65)46(74)60-35(22-28-23-56-31-12-8-7-11-29(28)31)43(71)57-32(15-16-37(52)68)42(70)61-39(26(4)66)47(75)63-40(27(5)67)49(77)78/h7-8,11-12,23-27,30,32-36,38-40,56,65-67H,9-10,13-22,51H2,1-6H3,(H2,52,68)(H,57,71)(H,58,69)(H,59,73)(H,60,74)(H,61,70)(H,62,72)(H,63,75)(H,77,78)(H4,53,54,55)/t25-,26-,27-,30+,32+,33+,34+,35+,36+,38+,39+,40+/m1/s1
CJJPNTLNWBJFIB-LWILUJGYSA-N
CSID:8460704, http://www.chemspider.com/Chemical-Structure.8460704.html (accessed 11:20, May 11, 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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