ethyl (2S)-2-[[(2S,3R)-3-azanyl-4-(4-iodophenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[[(2S,3R)-3-azanyl-4-(4-iodophenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-iodophenyl)butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-iodophenyl)-1-oxobutyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-iodophenyl)butanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-iodophenyl)butanoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C18H27IN2O4 MolecularWeight: 462.32245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=C(C=C1)I)N)O

InChI

InChI=1S/C18H27IN2O4/c1-4-25-18(24)15(9-11(2)3)21-17(23)16(22)14(20)10-12-5-7-13(19)8-6-12/h5-8,11,14-16,22H,4,9-10,20H2,1-3H3,(H,21,23)/t14-,15+,16+/m1/s1