2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2-propyl-1,2-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2-propyl-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2-propyl-diazepan-1-yl]acetic acid CAS Name: 2-[(6S)-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-7-oxo-2-propyl-1-diazepanyl]acetic acid IUPAC Name: 2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2-propyldiazepan-1-yl]acetic acid Traditional Name: 2-[(6S)-7-keto-6-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2-propyl-diazepan-1-yl]acetic acid Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CCCN1CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/m0/s1