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

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(alanylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-11(2)8-17(20(27)28)24-19(26)16(23-18(25)12(3)21)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10-12,16-17,22H,8-9,21H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)