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

Details

Stereochemistry ABSOLUTE
Molecular Formula C74H119N21O24S
Molecular Weight 1718.928
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (133-147)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=JHLRREXMLHXHEQ-NYXRHOJCSA-N
InChI=1S/C74H119N21O24S/c1-8-37(6)58(70(115)84-42(12-9-25-81-74(79)80)61(106)88-47(31-56(78)101)64(109)86-45(73(118)119)20-23-55(77)100)93-59(104)38(7)82-68(113)52-13-10-26-94(52)71(116)44(19-22-54(76)99)85-65(110)49(32-96)90-62(107)43(21-24-57(102)103)83-63(108)46(28-35(2)3)87-67(112)51(34-120)92-66(111)50(33-97)91-69(114)53-14-11-27-95(53)72(117)48(29-36(4)5)89-60(105)41(75)30-39-15-17-40(98)18-16-39/h15-18,35-38,41-53,58,96-98,120H,8-14,19-34,75H2,1-7H3,(H2,76,99)(H2,77,100)(H2,78,101)(H,82,113)(H,83,108)(H,84,115)(H,85,110)(H,86,109)(H,87,112)(H,88,106)(H,89,105)(H,90,107)(H,91,114)(H,92,111)(H,93,104)(H,102,103)(H,118,119)(H4,79,80,81)/t37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,58-/m0/s1

HIDE SMILES / InChI

Approval Year