2-azanyl-3-oxidanylidene-4-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]butanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-4-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]butanoic acid Openeye Name: 2-amino-3-oxo-4-[[2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]amino]butanoic acid CAS Name: 2-amino-4-[[2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-3-oxobutanoic acid IUPAC Name: 2-amino-3-oxo-4-[[2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]acetyl]amino]butanoic acid Traditional Name: 2-amino-3-keto-4-[[2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]acetyl]amino]butyric acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)NCC(=O)NCC(=O)C(C(=O)O)N)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NCC(=O)NCC(=O)C(C(=O)O)N)S

InChI

InChI=1S/C15H17N3O6S/c16-11(15(23)24)9(19)6-17-10(20)7-18-14(22)13(25)12(21)8-4-2-1-3-5-8/h1-5,11,13,25H,6-7,16H2,(H,17,20)(H,18,22)(H,23,24)