4-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C12H21N5O7S MolecularWeight: 379.38944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O7S/c13-5(4-25)10(21)17-7(3-18)11(22)15-2-9(20)16-6(12(23)24)1-8(14)19/h5-7,18,25H,1-4,13H2,(H2,14,19)(H,15,22)(H,16,20)(H,17,21)(H,23,24)