(2S)-2-[[(2S)-3-methyl-2-(sulfanylmethyl)butanoyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(sulfanylmethyl)butanoyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-3-methyl-2-(sulfanylmethyl)butanoyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(2S)-2-(mercaptomethyl)-3-methyl-1-oxobutyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(sulfanylmethyl)butanoyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(mercaptomethyl)-3-methyl-butanoyl]amino]-3-[4-(1H-pyrazol-5-yl)phenyl]propionic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS)C(=O)NC(CC1=CC=C(C=C1)C2=CC=NN2)C(=O)O

Isomeric SMILES

CC(C)[C@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=NN2)C(=O)O

InChI

InChI=1S/C18H23N3O3S/c1-11(2)14(10-25)17(22)20-16(18(23)24)9-12-3-5-13(6-4-12)15-7-8-19-21-15/h3-8,11,14,16,25H,9-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14-,16-/m0/s1