2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-valeric acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-5-13(3)17(22)20(26)23-16(12-15-10-8-7-9-11-15)19(25)24-18(21(27)28)14(4)6-2/h7-11,13-14,16-18H,5-6,12,22H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)