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

Systemtic Name: (2R)-3-[3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-4,5-bis(oxidanyl)phenyl]-2-(3-azanylpropanoylamino)propanoic acid Openeye Name: (2R)-3-[3-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-4,5-dihydroxy-phenyl]-2-(3-aminopropanoylamino)propanoic acid CAS Name: (2R)-3-[3-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-4,5-dihydroxyphenyl]-2-[(3-amino-1-oxopropyl)amino]propanoic acid IUPAC Name: (2R)-3-[3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]-2-(3-aminopropanoylamino)propanoic acid Traditional Name: (2R)-3-[3-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-4,5-dihydroxy-phenyl]-2-(3-aminopropanoylamino)propionic acid Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)NC(=O)CCN

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SC[C@@H](C(=O)O)N)C[C@H](C(=O)O)NC(=O)CCN

InChI

InChI=1S/C15H21N3O7S/c16-2-1-12(20)18-9(15(24)25)3-7-4-10(19)13(21)11(5-7)26-6-8(17)14(22)23/h4-5,8-9,19,21H,1-3,6,16-17H2,(H,18,20)(H,22,23)(H,24,25)/t8-,9+/m0/s1