ethyl (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-3-22-15(21)12(17-14(20)13(16)9(2)18)8-10-4-6-11(19)7-5-10/h4-7,9,12-13,18-19H,3,8,16H2,1-2H3,(H,17,20)/t9-,12+,13+/m1/s1