2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-3-mercapto-propionic acid Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5S/c20-12(7-10-8-22-13-4-2-1-3-11(10)13)17(26)23-14(5-6-16(21)25)18(27)24-15(9-30)19(28)29/h1-4,8,12,14-15,22,30H,5-7,9,20H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)