1-[(2S,3S)-3-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2S,3S)-3-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2S,3S)-3-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoyl]piperidine-2-carboxylic acid CAS Name: 1-[(2S,3S)-2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxopentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2S,3S)-3-methyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]pentanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2S,3S)-2-[(2-mercapto-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]pipecolinic acid Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C21H30N2O4S/c1-3-14(2)18(20(25)23-12-8-7-11-16(23)21(26)27)22-19(24)17(28)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18,28H,3,7-8,11-13H2,1-2H3,(H,22,24)(H,26,27)/t14-,16?,17?,18-/m0/s1