6-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]hexanoic acid

Systemtic Name: 6-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-sulfanyl-butanoyl]amino]-6-oxo-hexanoic acid CAS Name: 2-[[4-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6-oxohexanoic acid IUPAC Name: 6-oxo-2-[[2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-mercapto-butanoyl]amino]-6-keto-hexanoic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCS)C(=O)NC(CCCC=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCS)C(=O)NC(CCCC=O)C(=O)O

InChI

InChI=1S/C18H24N2O6S/c21-10-5-4-8-15(17(23)24)19-16(22)14(9-11-27)20-18(25)26-12-13-6-2-1-3-7-13/h1-3,6-7,10,14-15,27H,4-5,8-9,11-12H2,(H,19,22)(H,20,25)(H,23,24)