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

Details

Stereochemistry ABSOLUTE
Molecular Formula C72H126N22O20
Molecular Weight 1619.9062
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (297-311)]

SMILES

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=VIYKNGBRCGWKKU-JVXPRETBSA-N
InChI=1S/C72H126N22O20/c1-15-38(12)51(74)64(107)84-43(24-25-48(73)96)58(101)86-45(31-50(98)99)61(104)89-53(35(6)7)66(109)85-41(20-16-26-79-71(75)76)57(100)83-42(21-17-27-80-72(77)78)59(102)90-54(36(8)9)69(112)94-29-18-22-46(94)62(105)81-32-49(97)88-52(34(4)5)65(108)82-39(13)68(111)93-28-19-23-47(93)63(106)92-56(40(14)95)67(110)87-44(30-33(2)3)60(103)91-55(37(10)11)70(113)114/h33-47,51-56,95H,15-32,74H2,1-14H3,(H2,73,96)(H,81,105)(H,82,108)(H,83,100)(H,84,107)(H,85,109)(H,86,101)(H,87,110)(H,88,97)(H,89,104)(H,90,102)(H,91,103)(H,92,106)(H,98,99)(H,113,114)(H4,75,76,79)(H4,77,78,80)/t38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,51-,52-,53-,54-,55-,56-/m0/s1

HIDE SMILES / InChI

Approval Year