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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21ClN4O7S
Molecular Weight 412.846
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(S-(((2-CHLOROETHYL)AMINO)CARBONYL)-N-L-.GAMMA.-GLUTAMYL-L-CYSTEINYL)GLYCINE

SMILES

N[C@@H](CCC(=O)N[C@@H](CSC(=O)NCCCl)C(=O)NCC(O)=O)C(O)=O

InChI

InChIKey=BXPMYWSZMJXCHC-YUMQZZPRSA-N
InChI=1S/C13H21ClN4O7S/c14-3-4-16-13(25)26-6-8(11(22)17-5-10(20)21)18-9(19)2-1-7(15)12(23)24/h7-8H,1-6,15H2,(H,16,25)(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H21ClN4O7S
Molecular Weight 412.846
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
A50PLT62LB
Record Status Validated (UNII)
Record Version