4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6S/c20-12(7-10-8-21-13-4-2-1-3-11(10)13)17(26)22-14(5-6-16(24)25)18(27)23-15(9-30)19(28)29/h1-4,8,12,14-15,21,30H,5-7,9,20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)