methyl (2S)-2-[[(2S)-2-isothiocyanato-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-isothiocyanato-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-isothiocyanato-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-isothiocyanato-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-isothiocyanato-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-isothiocyanato-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-12(2)9-15(17(21)22-3)19-16(20)14(18-11-23)10-13-7-5-4-6-8-13/h4-8,12,14-15H,9-10H2,1-3H3,(H,19,20)/t14-,15-/m0/s1