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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O4S2
Molecular Weight 550.692
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of C,C?-Bis(5-thiazolylmethyl) N,N?-[(1R,4R)-1,4-bis(phenylmethyl)-1,4-butanediyl]bis[carbamate]

SMILES

O=C(N[C@H](CC[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3)OCC4=CN=CS4

InChI

InChIKey=ZCOYISSPYCHCMQ-DNQXCXABSA-N
InChI=1S/C28H30N4O4S2/c33-27(35-17-25-15-29-19-37-25)31-23(13-21-7-3-1-4-8-21)11-12-24(14-22-9-5-2-6-10-22)32-28(34)36-18-26-16-30-20-38-26/h1-10,15-16,19-20,23-24H,11-14,17-18H2,(H,31,33)(H,32,34)/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O4S2
Molecular Weight 550.692
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
LUL9J64J2N
Record Status Validated (UNII)
Record Version