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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N3O6
Molecular Weight 429.4663
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIPEPTIDE-54

SMILES

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O

InChI

InChIKey=VGTJSEYTVMAASM-RPTUDFQQSA-N
InChI=1S/C22H27N3O6/c1-13(26)19(25-20(28)17(23)11-14-5-3-2-4-6-14)21(29)24-18(22(30)31)12-15-7-9-16(27)10-8-15/h2-10,13,17-19,26-27H,11-12,23H2,1H3,(H,24,29)(H,25,28)(H,30,31)/t13-,17+,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27N3O6
Molecular Weight 429.4663
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
08538PJ2XV
Record Status Validated (UNII)
Record Version