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

Systemtic Name: 5-azanyl-2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-5-keto-valeric 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(CS)C(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

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

InChI

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