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

Details

Stereochemistry ABSOLUTE
Molecular Formula C73H107N19O25S
Molecular Weight 1682.808
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (85-99)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=XRPNTBGDYLESMH-YPZREMCGSA-N
InChI=1S/C73H107N19O25S/c1-35(2)25-46(85-70(113)52(33-118)90-64(107)43(18-21-53(75)96)83-63(106)44(20-24-57(101)102)82-61(104)42(74)17-23-56(99)100)65(108)89-51(32-94)69(112)80-37(5)60(103)84-48(27-40-15-11-8-12-16-40)68(111)92-59(38(6)95)72(115)91-58(36(3)4)71(114)87-49(28-41-29-77-34-79-41)67(110)86-47(26-39-13-9-7-10-14-39)66(109)88-50(31-93)62(105)78-30-55(98)81-45(73(116)117)19-22-54(76)97/h7-16,29,34-38,42-52,58-59,93-95,118H,17-28,30-33,74H2,1-6H3,(H2,75,96)(H2,76,97)(H,77,79)(H,78,105)(H,80,112)(H,81,98)(H,82,104)(H,83,106)(H,84,103)(H,85,113)(H,86,110)(H,87,114)(H,88,109)(H,89,108)(H,90,107)(H,91,115)(H,92,111)(H,99,100)(H,101,102)(H,116,117)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1

HIDE SMILES / InChI

Approval Year