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Details

Stereochemistry ABSOLUTE
Molecular Formula C78H117N23O22S
Molecular Weight 1760.969
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (405-419)]

SMILES

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N6CCC[C@H]6C(O)=O

InChI

InChIKey=OZTWYWGXNSWRLN-NJKPRJKFSA-N
InChI=1S/C78H117N23O22S/c1-41(104)62(98-64(109)47(81)33-45-35-84-40-88-45)73(118)87-36-60(106)89-49(19-8-10-26-79)67(112)99-63(42(2)105)74(119)96-56(38-103)69(114)91-51(24-25-61(107)108)66(111)92-52(20-9-11-27-80)75(120)100-29-13-22-58(100)72(117)93-53(31-43-15-4-3-5-16-43)68(113)95-55(37-102)70(115)97-57(39-124)71(116)90-50(21-12-28-85-78(82)83)65(110)94-54(76(121)101-30-14-23-59(101)77(122)123)32-44-34-86-48-18-7-6-17-46(44)48/h3-7,15-18,34-35,40-42,47,49-59,62-63,86,102-105,124H,8-14,19-33,36-39,79-81H2,1-2H3,(H,84,88)(H,87,118)(H,89,106)(H,90,116)(H,91,114)(H,92,111)(H,93,117)(H,94,110)(H,95,113)(H,96,119)(H,97,115)(H,98,109)(H,99,112)(H,107,108)(H,122,123)(H4,82,83,85)/t41-,42-,47+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1

HIDE SMILES / InChI

Molecular Formula C78H117N23O22S
Molecular Weight 1760.969
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:21:05 GMT 2025
Edited
by admin
on Wed Apr 02 13:21:05 GMT 2025
Record UNII
4D3454LXP4
Record Status alternative
Record Version
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Primary Definition