(2S)-2-azanyl-4-[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]sulfonyl-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]sulfonyl-butanoic acid Openeye Name: (2S)-2-amino-4-[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]phenyl]sulfonyl-butanoic acid CAS Name: (2S)-2-amino-4-[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]phenyl]sulfonylbutanoic acid IUPAC Name: (2S)-2-amino-4-[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]phenyl]sulfonylbutanoic acid Traditional Name: (2S)-2-amino-4-[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]phenyl]sulfonyl-butyric acid Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CS)N)S(=O)(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CS)N)S(=O)(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H19N3O5S2/c14-10(13(18)19)5-6-23(20,21)9-3-1-8(2-4-9)16-12(17)11(15)7-22/h1-4,10-11,22H,5-7,14-15H2,(H,16,17)(H,18,19)/t10-,11-/m0/s1