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

Systemtic Name: 4-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]butyric acid Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)N)O

InChI

InChI=1S/C16H22N4O6S/c17-10(5-8-1-3-9(21)4-2-8)14(23)20-12(7-27)15(24)19-11(16(25)26)6-13(18)22/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,24)(H,20,23)(H,25,26)