2-[[2-(2-azanyl-1-methoxy-1-oxidanyl-2-oxidanylidene-ethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(2-azanyl-1-methoxy-1-oxidanyl-2-oxidanylidene-ethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2-amino-1-hydroxy-1-methoxy-2-oxo-ethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(2-amino-1-hydroxy-1-methoxy-2-oxoethyl)-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-amino-1-hydroxy-1-methoxy-2-oxoethyl)-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2-amino-1-hydroxy-2-keto-1-methoxy-ethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6/c1-11(2)9-13(18(25,26-3)17(19)24)15(21)20-14(16(22)23)10-12-7-5-4-6-8-12/h4-8,11,13-14,25H,9-10H2,1-3H3,(H2,19,24)(H,20,21)(H,22,23)