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

Details

Stereochemistry ABSOLUTE
Molecular Formula C70H114N20O21S
Molecular Weight 1603.841
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (237-251)]

SMILES

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=MJKCKWXLPPGING-BAOFBDJDSA-N
InChI=1S/C70H114N20O21S/c1-32(2)24-45(60(100)78-30-53(96)79-35(7)58(98)90-57(38(10)92)69(109)88-46(25-33(3)4)63(103)81-42(18-14-15-22-71)59(99)77-31-54(97)89-56(34(5)6)68(108)80-36(8)70(110)111)84-66(106)49(28-52(74)95)85-62(102)44(21-23-112-11)83-61(101)43(19-20-50(72)93)82-65(105)48(27-51(73)94)86-64(104)47(87-67(107)55(75)37(9)91)26-39-29-76-41-17-13-12-16-40(39)41/h12-13,16-17,29,32-38,42-49,55-57,76,91-92H,14-15,18-28,30-31,71,75H2,1-11H3,(H2,72,93)(H2,73,94)(H2,74,95)(H,77,99)(H,78,100)(H,79,96)(H,80,108)(H,81,103)(H,82,105)(H,83,101)(H,84,106)(H,85,102)(H,86,104)(H,87,107)(H,88,109)(H,89,97)(H,90,98)(H,110,111)/t35-,36-,37+,38+,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-/m0/s1

HIDE SMILES / InChI

Approval Year