2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-3-hydroxy-propionic acid Formula: C13H23N5O7S MolecularWeight: 393.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N5O7S/c1-5(16-11(22)6(14)4-26)10(21)17-7(2-9(15)20)12(23)18-8(3-19)13(24)25/h5-8,19,26H,2-4,14H2,1H3,(H2,15,20)(H,16,22)(H,17,21)(H,18,23)(H,24,25)