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

Systemtic Name: 2-[(3S)-2-oxidanylidene-3-[[(2S)-2-sulfanylpropanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-2-oxo-3-[[(2S)-2-sulfanylpropanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-2-mercapto-1-oxopropyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-2-oxo-3-[[(2S)-2-sulfanylpropanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[[(2S)-2-mercaptopropanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-9(22)14(20)16-11-7-6-10-4-2-3-5-12(10)17(15(11)21)8-13(18)19/h2-5,9,11,22H,6-8H2,1H3,(H,16,20)(H,18,19)/t9-,11-/m0/s1