(4S)-5-[(2S)-6-azanyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

Systemtic Name: (4S)-5-[(2S)-6-azanyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Openeye Name: (4S)-5-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid CAS Name: (4S)-5-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxohexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid IUPAC Name: (4S)-5-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Traditional Name: (4S)-5-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C(=O)O)C(=O)C(CCCCN)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN([C@@H](C2=C1SC=C2)C(=O)O)C(=O)[C@H](CCCCN)N[C@@H](CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H31N3O5S/c25-13-5-4-8-18(26-19(23(29)30)10-9-16-6-2-1-3-7-16)22(28)27-14-11-20-17(12-15-33-20)21(27)24(31)32/h1-3,6-7,12,15,18-19,21,26H,4-5,8-11,13-14,25H2,(H,29,30)(H,31,32)/t18-,19-,21-/m0/s1