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Details

Stereochemistry ABSOLUTE
Molecular Formula C84H121N23O19S3
Molecular Weight 1853.197
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (321-335)]

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(O)=O

InChI

InChIKey=MOLUCGWOPDOILY-HQFSMPIDSA-N
InChI=1S/C84H121N23O19S3/c1-47(95-76(119)64(46-128)105-72(115)57(32-38-129-2)99-73(116)59(39-48-15-5-3-6-16-48)102-79(122)66-23-14-36-106(66)80(123)54(86)19-11-34-92-83(88)89)69(112)103-61(41-51-26-30-53(109)31-27-51)81(124)107-37-13-22-65(107)78(121)94-44-68(111)96-63(45-127)77(120)101-60(43-67(87)110)75(118)98-55(20-9-10-33-85)70(113)97-56(21-12-35-93-84(90)91)71(114)100-58(40-50-24-28-52(108)29-25-50)74(117)104-62(82(125)126)42-49-17-7-4-8-18-49/h3-8,15-18,24-31,47,54-66,108-109,127-128H,9-14,19-23,32-46,85-86H2,1-2H3,(H2,87,110)(H,94,121)(H,95,119)(H,96,111)(H,97,113)(H,98,118)(H,99,116)(H,100,114)(H,101,120)(H,102,122)(H,103,112)(H,104,117)(H,105,115)(H,125,126)(H4,88,89,92)(H4,90,91,93)/t47-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1

HIDE SMILES / InChI

Approval Year