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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(3-oxidanyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[(3-hydroxy-2-sulfanyl-propanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-hydroxy-2-mercapto-1-oxopropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-hydroxy-2-sulfanylpropanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-[(3-hydroxy-2-mercapto-propanoyl)amino]-4-keto-butyric acid Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)S

InChI

InChI=1S/C18H21N3O7S/c22-8-14(29)17(26)20-12(6-15(23)24)16(25)21-13(18(27)28)5-9-7-19-11-4-2-1-3-10(9)11/h1-4,7,12-14,19,22,29H,5-6,8H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)