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(2R)-2-benzamido-6-[(phenylmethyl)carbamothioylamino]hexanoic acid

(2R)-2-benzamido-6-[(phenylmethyl)carbamothioylamino]hexanoic acid

Systemtic Name:(2R)-2-benzamido-6-[(phenylmethyl)carbamothioylamino]hexanoic acid
Openeye Name:(2R)-2-benzamido-6-(benzylcarbamothioylamino)hexanoic acid
CAS Name:(2R)-2-benzamido-6-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]hexanoic acid
IUPAC Name:(2R)-2-benzamido-6-(benzylcarbamothioylamino)hexanoic acid
Traditional Name:(2R)-2-benzamido-6-(benzylthiocarbamoylamino)hexanoic acid
Formula: C21H25N3O3S
MolecularWeight: 399.5065
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCCCCC(C(=O)O)NC(=O)C2=CC=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCCCC[C@H](C(=O)O)NC(=O)C2=CC=CC=C2


InChI

InChI=1S/C21H25N3O3S/c25-19(17-11-5-2-6-12-17)24-18(20(26)27)13-7-8-14-22-21(28)23-15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2,(H,24,25)(H,26,27)(H2,22,23,28)/t18-/m1/s1


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