2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propionic acid Formula: C11H20N4O6S MolecularWeight: 336.3647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CS)N

Isomeric SMILES

CC(C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CS)N

InChI

InChI=1S/C11H20N4O6S/c1-5(11(20)21)14-8(17)2-13-10(19)7(3-16)15-9(18)6(12)4-22/h5-7,16,22H,2-4,12H2,1H3,(H,13,19)(H,14,17)(H,15,18)(H,20,21)