3-(11-aminocarbonylbenzo[b][1]benzazepin-2-yl)sulfanyl-2-azanyl-propanoic acid

Systemtic Name: 3-(11-aminocarbonylbenzo[b][1]benzazepin-2-yl)sulfanyl-2-azanyl-propanoic acid Openeye Name: 2-amino-3-(11-carbamoylbenzo[b][1]benzazepin-2-yl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(11-carbamoyl-2-benzo[b][1]benzazepinyl)thio]propanoic acid IUPAC Name: 2-amino-3-(11-carbamoylbenzo[b][1]benzazepin-2-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(11-carbamoylbenzo[b][1]benzazepin-2-yl)thio]propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)SCC(C(=O)O)N

InChI

InChI=1S/C18H17N3O3S/c19-14(17(22)23)10-25-13-8-7-12-6-5-11-3-1-2-4-15(11)21(18(20)24)16(12)9-13/h1-9,14H,10,19H2,(H2,20,24)(H,22,23)