(2S)-2-[[(2S)-4-methyl-2-(phenylcarbamothioylamino)pentanoyl]amino]-4-oxidanyl-butanethioic S-acid

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-(phenylcarbamothioylamino)pentanoyl]amino]-4-oxidanyl-butanethioic S-acid Openeye Name: (2S)-4-hydroxy-2-[[(2S)-4-methyl-2-(phenylcarbamothioylamino)pentanoyl]amino]butanethioic S-acid CAS Name: (2S)-2-[[(2S)-2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxybutanethioic S-acid IUPAC Name: (2S)-4-hydroxy-2-[[(2S)-4-methyl-2-(phenylcarbamothioylamino)pentanoyl]amino]butanethioic S-acid Traditional Name: (2S)-4-hydroxy-2-[[(2S)-4-methyl-2-(phenylthiocarbamoylamino)pentanoyl]amino]thiobutyric acid Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCO)C(=O)S)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCO)C(=O)S)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O3S2/c1-11(2)10-14(15(22)19-13(8-9-21)16(23)24)20-17(25)18-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,19,22)(H,23,24)(H2,18,20,25)/t13-,14-/m0/s1