2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-valeric acid Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-11(2)7-16(20(27)28)23-19(26)17(10-29)24-18(25)14(21)8-12-9-22-15-6-4-3-5-13(12)15/h3-6,9,11,14,16-17,22,29H,7-8,10,21H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)