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2-azanyl-3-[2-oxidanylidene-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]ethyl]sulfanyl-propanoic acid

2-azanyl-3-[2-oxidanylidene-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]ethyl]sulfanyl-propanoic acid

Systemtic Name:2-azanyl-3-[2-oxidanylidene-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]ethyl]sulfanyl-propanoic acid
Openeye Name:2-amino-3-[2-oxo-2-[2-[(5-sulfo-1-naphthyl)amino]ethylamino]ethyl]sulfanyl-propanoic acid
CAS Name:2-amino-3-[[2-oxo-2-[2-[(5-sulfo-1-naphthalenyl)amino]ethylamino]ethyl]thio]propanoic acid
IUPAC Name:2-amino-3-[2-oxo-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]ethyl]sulfanylpropanoic acid
Traditional Name:2-amino-3-[[2-keto-2-[2-[(5-sulfo-1-naphthyl)amino]ethylamino]ethyl]thio]propionic acid
Formula: C17H21N3O6S2
MolecularWeight: 427.49514
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CSCC(C(=O)O)N


Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CSCC(C(=O)O)N


InChI

InChI=1S/C17H21N3O6S2/c18-13(17(22)23)9-27-10-16(21)20-8-7-19-14-5-1-4-12-11(14)3-2-6-15(12)28(24,25)26/h1-6,13,19H,7-10,18H2,(H,20,21)(H,22,23)(H,24,25,26)


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