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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26N4O6S
Molecular Weight 426.487
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(N6-LYSINYL-3-ACETYLAMINOBENZOYL)CYSTEINE

SMILES

N[C@@H](CCCCNC(=O)C1=CC=CC(NC(=O)CSC[C@H](N)C(O)=O)=C1)C(O)=O

InChI

InChIKey=FDKCELDZKHDMSS-KBPBESRZSA-N
InChI=1S/C18H26N4O6S/c19-13(17(25)26)6-1-2-7-21-16(24)11-4-3-5-12(8-11)22-15(23)10-29-9-14(20)18(27)28/h3-5,8,13-14H,1-2,6-7,9-10,19-20H2,(H,21,24)(H,22,23)(H,25,26)(H,27,28)/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H26N4O6S
Molecular Weight 426.487
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
79GY3U2AAD
Record Status Validated (UNII)
Record Version