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- 10 of 10 defined stereocentres
L-Tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-4-oxo-O-sulfo-L-homoseryl-N-{(2S)-3-carboxy-2-[(5-oxo-L-prolyl-L-glutaminyl)amino]propanoyl}-L-phenylalaninamide - N-ethylethanamine (1:1)
CCNCC.C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4)NC(=O)[C@H](Cc5ccc(cc5)O)N)O
InChI=1S/C58H73N13O21S2.C4H11N/c1-29(72)49(70-50(80)35(59)22-31-12-14-33(73)15-13-31)58(88)62-28-46(76)64-41(24-32-27-61-36-11-7-6-10-34(32)36)54(84)66-39(20-21-93-2)53(83)69-43(26-48(79)92-94(89,90)91)55(85)67-40(23-30-8-4-3-5-9-30)56(86)71-57(87)42(25-47(77)78)68-52(82)38(16-18-44(60)74)65-51(81)37-17-19-45(75)63-37;1-3-5-4-2/h3-15,27,29,35,37-43,49,61,72-73H,16-26,28,59H2,1-2H3,(H2,60,74)(H,62,88)(H,63,75)(H,64,76)(H,65,81)(H,66,84)(H,67,85)(H,68,82)(H,69,83)(H,70,80)(H,77,78)(H,71,86,87)(H,89,90,91);5H,3-4H2,1-2H3/t29-,35+,37+,38+,39+,40+,41+,42+,43+,49+;/m1./s1
YVWWQIGAEPHBJW-JZZXZCMASA-N
CSID:17326138, http://www.chemspider.com/Chemical-Structure.17326138.html (accessed 03:07, Jun 15, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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