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

Details

Stereochemistry ABSOLUTE
Molecular Formula C60H98N20O21S
Molecular Weight 1467.607
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (113-127)]

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]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CN)C(O)=O

InChI

InChIKey=OWFSWRVBCOSEIY-QHXFAYKMSA-N
InChI=1S/C60H98N20O21S/c1-30(47(88)71-32(9-4-19-66-60(64)65)52(93)73-35(59(100)101)18-24-102-3)68-50(91)33(14-16-43(62)84)70-45(86)26-67-49(90)36(27-81)75-54(95)37(28-82)74-48(89)31(2)69-51(92)34(15-17-44(63)85)72-53(94)38(29-83)76-55(96)39-10-5-21-78(39)57(98)41-12-7-23-80(41)58(99)42-13-8-22-79(42)56(97)40-11-6-20-77(40)46(87)25-61/h30-42,81-83H,4-29,61H2,1-3H3,(H2,62,84)(H2,63,85)(H,67,90)(H,68,91)(H,69,92)(H,70,86)(H,71,88)(H,72,94)(H,73,93)(H,74,89)(H,75,95)(H,76,96)(H,100,101)(H4,64,65,66)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Approval Year