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

Details

Stereochemistry ABSOLUTE
Molecular Formula C79H108N26O22
Molecular Weight 1773.8638
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (165-179)]

SMILES

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CNC=N7)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=MMSCULRXSWERBW-XTCPCUAKSA-N
InChI=1S/C79H108N26O22/c1-41(93-70(117)54(26-45-31-84-37-88-45)100-73(120)55(27-46-32-85-38-89-46)97-67(114)49(81)35-106)65(112)92-42(2)66(113)94-51(18-20-62(82)108)69(116)103-59(25-44-14-7-4-8-15-44)78(125)105-23-11-17-61(105)77(124)102-58(30-63(83)109)75(122)101-57(29-48-34-87-40-91-48)74(121)104-60(36-107)76(123)98-53(24-43-12-5-3-6-13-43)71(118)95-50(16-9-10-22-80)68(115)99-56(28-47-33-86-39-90-47)72(119)96-52(79(126)127)19-21-64(110)111/h3-8,12-15,31-34,37-42,49-61,106-107H,9-11,16-30,35-36,80-81H2,1-2H3,(H2,82,108)(H2,83,109)(H,84,88)(H,85,89)(H,86,90)(H,87,91)(H,92,112)(H,93,117)(H,94,113)(H,95,118)(H,96,119)(H,97,114)(H,98,123)(H,99,115)(H,100,120)(H,101,122)(H,102,124)(H,103,116)(H,104,121)(H,110,111)(H,126,127)/t41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1

HIDE SMILES / InChI

Approval Year