2-[[2-[2-(2-azanylpropanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-(alanylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-valeric acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N

InChI

InChI=1S/C20H30N4O5/c1-4-12(2)17(20(28)29)24-19(27)15(10-14-8-6-5-7-9-14)23-16(25)11-22-18(26)13(3)21/h5-9,12-13,15,17H,4,10-11,21H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)(H,28,29)