2-[[2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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