U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C73H116N24O24
Molecular Weight 1713.8485
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (401-415)]

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CNC=N2)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=ZJUXUMPMFDNGOK-AYJUAZKGSA-N
InChI=1S/C73H116N24O24/c1-36(100)55(94-64(112)49(28-42-30-80-35-84-42)90-69(117)57(38(3)102)96-62(110)45(18-12-24-81-73(77)78)87-68(116)56(37(2)101)93-59(107)43(76)27-41-29-79-34-83-41)67(115)82-31-53(104)85-44(16-8-10-22-74)61(109)95-58(39(4)103)70(118)91-50(32-98)65(113)86-46(20-21-54(105)106)60(108)88-47(17-9-11-23-75)71(119)97-25-13-19-52(97)66(114)89-48(26-40-14-6-5-7-15-40)63(111)92-51(33-99)72(120)121/h5-7,14-15,29-30,34-39,43-52,55-58,98-103H,8-13,16-28,31-33,74-76H2,1-4H3,(H,79,83)(H,80,84)(H,82,115)(H,85,104)(H,86,113)(H,87,116)(H,88,108)(H,89,114)(H,90,117)(H,91,118)(H,92,111)(H,93,107)(H,94,112)(H,95,109)(H,96,110)(H,105,106)(H,120,121)(H4,77,78,81)/t36-,37-,38-,39-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,55+,56+,57+,58+/m1/s1

HIDE SMILES / InChI

Approval Year