2-[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-3-mercapto-propanoyl]amino]acetyl]amino]acetic acid Formula: C12H21N5O6S MolecularWeight: 363.39004

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)N)C(C(=O)NC(CS)C(=O)NCC(=O)NCC(=O)O)N

Isomeric SMILES

C(CC(=O)N)C(C(=O)NC(CS)C(=O)NCC(=O)NCC(=O)O)N

InChI

InChI=1S/C12H21N5O6S/c13-6(1-2-8(14)18)11(22)17-7(5-24)12(23)16-3-9(19)15-4-10(20)21/h6-7,24H,1-5,13H2,(H2,14,18)(H,15,19)(H,16,23)(H,17,22)(H,20,21)