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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-3-11(2)17(20(27)28)24-19(26)16(10-29)23-18(25)14(21)8-12-9-22-15-7-5-4-6-13(12)15/h4-7,9,11,14,16-17,22,29H,3,8,10,21H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)