methyl (2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-(3-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-(3-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-(3-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-3-(3-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(3-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-(3-hydroxyphenyl)propionic acid methyl ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-4-10(2)14(17)15(20)18-13(16(21)22-3)9-11-6-5-7-12(19)8-11/h5-8,10,13-14,19H,4,9,17H2,1-3H3,(H,18,20)/t10-,13-,14-/m0/s1