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

Details

Stereochemistry ABSOLUTE
Molecular Formula C67H120N24O19
Molecular Weight 1565.8191
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (301-315)]

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=IBZAXBJWGWWKRN-ZMERAEDQSA-N
InChI=1S/C67H120N24O19/c1-31(2)27-41(55(100)87-48(33(5)6)60(105)82-39(18-13-23-76-66(71)72)53(98)84-42(29-92)56(101)79-35(9)51(96)85-43(30-93)64(109)110)83-61(106)50(37(11)94)89-58(103)45-21-16-25-90(45)62(107)36(10)80-59(104)47(32(3)4)86-46(95)28-78-57(102)44-20-15-26-91(44)63(108)49(34(7)8)88-54(99)40(19-14-24-77-67(73)74)81-52(97)38(68)17-12-22-75-65(69)70/h31-45,47-50,92-94H,12-30,68H2,1-11H3,(H,78,102)(H,79,101)(H,80,104)(H,81,97)(H,82,105)(H,83,106)(H,84,98)(H,85,96)(H,86,95)(H,87,100)(H,88,99)(H,89,103)(H,109,110)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,45-,47-,48-,49-,50-/m0/s1

HIDE SMILES / InChI

Approval Year