3-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-4-keto-butyric acid Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O)N

InChI

InChI=1S/C18H22N4O6S/c19-11(5-9-7-20-12-4-2-1-3-10(9)12)16(25)21-13(6-15(23)24)17(26)22-14(8-29)18(27)28/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)