ethyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(3-oxidanyl-4-phosphonooxy-phenyl)propanoate

Systemtic Name: ethyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(3-oxidanyl-4-phosphonooxy-phenyl)propanoate Openeye Name: ethyl 2-[(2-amino-4-methyl-pentanoyl)amino]-3-(3-hydroxy-4-phosphonooxy-phenyl)propanoate CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-4-methylpentanoyl)amino]-3-(3-hydroxy-4-phosphonooxyphenyl)propanoate Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-3-(3-hydroxy-4-phosphonooxy-phenyl)propionic acid ethyl ester Formula: C17H27N2O8P MolecularWeight: 418.378641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OP(=O)(O)O)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OP(=O)(O)O)O)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C17H27N2O8P/c1-4-26-17(22)13(19-16(21)12(18)7-10(2)3)8-11-5-6-15(14(20)9-11)27-28(23,24)25/h5-6,9-10,12-13,20H,4,7-8,18H2,1-3H3,(H,19,21)(H2,23,24,25)