5-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C13H23N5O7S MolecularWeight: 393.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N5O7S/c14-6(5-26)11(22)18-8(4-19)12(23)16-3-10(21)17-7(13(24)25)1-2-9(15)20/h6-8,19,26H,1-5,14H2,(H2,15,20)(H,16,23)(H,17,21)(H,18,22)(H,24,25)