methyl (2S)-2-azanyl-5-[(4-iodophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[(4-iodophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(4-iodoanilino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(4-iodoanilino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(4-iodoanilino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-(4-iodoanilino)-5-keto-valeric acid methyl ester Formula: C12H15IN2O3 MolecularWeight: 362.16357

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)I)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)I)N

InChI

InChI=1S/C12H15IN2O3/c1-18-12(17)10(14)6-7-11(16)15-9-4-2-8(13)3-5-9/h2-5,10H,6-7,14H2,1H3,(H,15,16)/t10-/m0/s1