(2R)-2-azanyl-3-[3,4-bis[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl]-2-(dimethylamino)-5-oxidanyl-phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[3,4-bis[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl]-2-(dimethylamino)-5-oxidanyl-phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[3,4-bis[[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl]-2-(dimethylamino)-5-hydroxy-phenyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[3,4-bis[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-2-(dimethylamino)-5-hydroxyphenyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[3,4-bis[[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl]-2-(dimethylamino)-5-hydroxyphenyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[3,4-bis[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-2-(dimethylamino)-5-hydroxy-phenyl]thio]propionic acid Formula: C17H26N4O7S3 MolecularWeight: 494.60594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1SCC(C(=O)O)N)SCC(C(=O)O)N)O)SCC(C(=O)O)N

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1SC[C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N)O)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H26N4O7S3/c1-21(2)12-11(29-4-7(18)15(23)24)3-10(22)13(30-5-8(19)16(25)26)14(12)31-6-9(20)17(27)28/h3,7-9,22H,4-6,18-20H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t7-,8-,9-/m0/s1