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

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-hydroxy-butyric acid Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CNC2=CC=CC=C21)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CNC2=CC=CC=C21)N)O

InChI

InChI=1S/C18H24N4O5S/c1-9(23)15(18(26)27)22-17(25)14(8-28)21-16(24)12(19)6-10-7-20-13-5-3-2-4-11(10)13/h2-5,7,9,12,14-15,20,23,28H,6,8,19H2,1H3,(H,21,24)(H,22,25)(H,26,27)