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

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-3-hydroxy-butyric acid Formula: C14H25N5O7S MolecularWeight: 407.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N5O7S/c1-5(17-12(23)7(15)4-27)11(22)18-8(3-9(16)21)13(24)19-10(6(2)20)14(25)26/h5-8,10,20,27H,3-4,15H2,1-2H3,(H2,16,21)(H,17,23)(H,18,22)(H,19,24)(H,25,26)