2-[(3S)-2-oxidanylidene-3-[[(2S)-2-sulfanylhexanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-2-oxidanylidene-3-[[(2S)-2-sulfanylhexanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-2-oxo-3-[[(2S)-2-sulfanylhexanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-2-mercapto-1-oxohexyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-2-oxo-3-[[(2S)-2-sulfanylhexanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[[(2S)-2-mercaptohexanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O)S

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@H]1CCC2=CC=CC=C2N(C1=O)CC(=O)O)S

InChI

InChI=1S/C18H24N2O4S/c1-2-3-8-15(25)17(23)19-13-10-9-12-6-4-5-7-14(12)20(18(13)24)11-16(21)22/h4-7,13,15,25H,2-3,8-11H2,1H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1