3-[(3R,4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-pyrrolidin-3-yl]propanoic acid

Systemtic Name: 3-[(3R,4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-pyrrolidin-3-yl]propanoic acid Openeye Name: 3-[(3R,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-pyrrolidin-3-yl]propanoic acid CAS Name: 3-[(3R,4R)-4-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(3R,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxopyrrolidin-3-yl]propanoic acid Traditional Name: 3-[(3R,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-keto-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidin-3-yl]propionic acid Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C=C(C=C2)N3CC(C(C3=O)CCC(=O)O)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)N3C[C@@H]([C@H](C3=O)CCC(=O)O)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-26-10-8-14-2-3-16(12-15(14)9-11-26)27-13-18(17(23(27)31)4-7-21(28)29)25-22(30)19-5-6-20(24)32-19/h2-3,5-6,12,17-18H,4,7-11,13H2,1H3,(H,25,30)(H,28,29)/t17-,18+/m1/s1