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

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]succinic acid Formula: C12H20N4O8S MolecularWeight: 380.3742

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O8S/c13-5(4-25)10(21)16-7(3-17)11(22)14-2-8(18)15-6(12(23)24)1-9(19)20/h5-7,17,25H,1-4,13H2,(H,14,22)(H,15,18)(H,16,21)(H,19,20)(H,23,24)