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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H55N9O16
Molecular Weight 857.8619
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEPTIDE T, 1(D-ALA)

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O

InChI

InChIKey=IWHCAJPPWOMXNW-ZESMOPTKSA-N
InChI=1S/C35H55N9O16/c1-13(36)28(52)40-22(12-45)31(55)41-25(15(3)47)33(57)43-26(16(4)48)34(58)42-24(14(2)46)32(56)39-21(11-23(37)51)29(53)38-20(10-18-6-8-19(50)9-7-18)30(54)44-27(17(5)49)35(59)60/h6-9,13-17,20-22,24-27,45-50H,10-12,36H2,1-5H3,(H2,37,51)(H,38,53)(H,39,56)(H,40,52)(H,41,55)(H,42,58)(H,43,57)(H,44,54)(H,59,60)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H55N9O16
Molecular Weight 857.8619
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:15:56 GMT 2023
Edited
by admin
on Sat Dec 16 15:15:56 GMT 2023
Record UNII
YM99OI1N73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PEPTIDE T, 1(D-ALA)
Common Name English
D-ALA-SER-THR-THR-THR-ASN-TYR-THR-OH
Common Name English
D-ALA1-PEPTIDE T
Common Name English
L-THREONINE, D-ALANYL-L-SERYL-L-THREONYL-L-THREONYL-L-THREONYL-L-ASPARAGINYL-L-TYROSYL-
Common Name English
Code System Code Type Description
FDA UNII
YM99OI1N73
Created by admin on Sat Dec 16 15:15:56 GMT 2023 , Edited by admin on Sat Dec 16 15:15:56 GMT 2023
PRIMARY
CAS
106362-33-8
Created by admin on Sat Dec 16 15:15:56 GMT 2023 , Edited by admin on Sat Dec 16 15:15:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID70909990
Created by admin on Sat Dec 16 15:15:56 GMT 2023 , Edited by admin on Sat Dec 16 15:15:56 GMT 2023
PRIMARY
PUBCHEM
467521
Created by admin on Sat Dec 16 15:15:56 GMT 2023 , Edited by admin on Sat Dec 16 15:15:56 GMT 2023
PRIMARY
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