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

Details

Stereochemistry ABSOLUTE
Molecular Formula C69H104N20O26
Molecular Weight 1629.6825
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (145-159)]

SMILES

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=GZGDXGSWVGBUNE-UDDYARPRSA-N
InChI=1S/C69H104N20O26/c1-31(2)52(64(110)88-53(32(3)92)65(111)82-41(23-35-11-7-6-8-12-35)60(106)81-43(26-51(100)101)58(104)77-28-50(99)85-55(34(5)94)67(113)89-22-10-14-46(89)63(109)84-45(30-91)68(114)115)86-66(112)54(33(4)93)87-62(108)44(29-90)83-59(105)40(24-36-15-17-37(95)18-16-36)78-49(98)27-76-57(103)39(19-20-47(71)96)79-61(107)42(25-48(72)97)80-56(102)38(70)13-9-21-75-69(73)74/h6-8,11-12,15-18,31-34,38-46,52-55,90-95H,9-10,13-14,19-30,70H2,1-5H3,(H2,71,96)(H2,72,97)(H,76,103)(H,77,104)(H,78,98)(H,79,107)(H,80,102)(H,81,106)(H,82,111)(H,83,105)(H,84,109)(H,85,99)(H,86,112)(H,87,108)(H,88,110)(H,100,101)(H,114,115)(H4,73,74,75)/t32-,33-,34-,38+,39+,40+,41+,42+,43+,44+,45+,46+,52+,53+,54+,55+/m1/s1

HIDE SMILES / InChI

Approval Year