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(2S)-2-[bis[3-(phenylmethylsulfanyl)propyl]amino]butanedioic acid

(2S)-2-[bis[3-(phenylmethylsulfanyl)propyl]amino]butanedioic acid

Systemtic Name:(2S)-2-[bis[3-(phenylmethylsulfanyl)propyl]amino]butanedioic acid
Openeye Name:(2S)-2-[bis(3-benzylsulfanylpropyl)amino]butanedioic acid
CAS Name:(2S)-2-[bis[3-(phenylmethylthio)propyl]amino]butanedioic acid
IUPAC Name:(2S)-2-[bis(3-benzylsulfanylpropyl)amino]butanedioic acid
Traditional Name:(2S)-2-[bis[3-(benzylthio)propyl]amino]succinic acid
Formula: C24H31NO4S2
MolecularWeight: 461.63724
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCN(CCCSCC2=CC=CC=C2)C(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CSCCCN(CCCSCC2=CC=CC=C2)[C@@H](CC(=O)O)C(=O)O


InChI

InChI=1S/C24H31NO4S2/c26-23(27)17-22(24(28)29)25(13-7-15-30-18-20-9-3-1-4-10-20)14-8-16-31-19-21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2,(H,26,27)(H,28,29)/t22-/m0/s1


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