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

Details

Stereochemistry ABSOLUTE
Molecular Formula C64H101N21O22S
Molecular Weight 1548.679
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (117-131)]

SMILES

CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=HCZGRCNJCWFVAP-GBZDWDJASA-N
InChI=1S/C64H101N21O22S/c1-31(73-54(97)37(16-18-46(65)89)76-49(92)27-72-52(95)42(28-86)83-60(103)43(29-87)82-51(94)32(2)74-55(98)38(17-19-47(66)90)78-59(102)44(30-88)84-53(96)35-13-8-21-70-35)50(93)77-36(14-9-22-71-64(68)69)56(99)79-39(20-24-108-4)57(100)81-41(25-34-11-6-5-7-12-34)62(105)85-23-10-15-45(85)61(104)80-40(26-48(67)91)58(101)75-33(3)63(106)107/h5-7,11-12,31-33,35-45,70,86-88H,8-10,13-30H2,1-4H3,(H2,65,89)(H2,66,90)(H2,67,91)(H,72,95)(H,73,97)(H,74,98)(H,75,101)(H,76,92)(H,77,93)(H,78,102)(H,79,99)(H,80,104)(H,81,100)(H,82,94)(H,83,103)(H,84,96)(H,106,107)(H4,68,69,71)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1

HIDE SMILES / InChI

Approval Year