2-[(3S,7R)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-7-propyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,7R)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-7-propyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S,7R)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-7-propyl-azepan-1-yl]acetic acid CAS Name: 2-[(3S,7R)-3-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-oxo-7-propyl-1-azepanyl]acetic acid IUPAC Name: 2-[(3S,7R)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-7-propylazepan-1-yl]acetic acid Traditional Name: 2-[(3S,7R)-2-keto-3-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-7-propyl-azepan-1-yl]acetic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CCC[C@@H]1CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16+,17+/m1/s1