(2S)-2-[[(2S)-2-(3-methylpentanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(3-methylpentanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-(3-methylpentanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-4-mercapto-2-[[(2S)-2-[(3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(3-methylpentanoylamino)-3-phenylpropanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-4-mercapto-2-[[(2S)-2-(3-methylpentanoylamino)-3-phenyl-propanoyl]amino]butyric acid Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCS)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-3-13(2)11-17(22)20-16(12-14-7-5-4-6-8-14)18(23)21-15(9-10-26)19(24)25/h4-8,13,15-16,26H,3,9-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13?,15-,16-/m0/s1