5-[(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]pentanoic acid

Systemtic Name: 5-[(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]pentanoic acid Openeye Name: 5-[(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]pentanoic acid CAS Name: 5-[(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]pentanoic acid IUPAC Name: 5-[(3R,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxopyrrolidin-3-yl]pentanoic acid Traditional Name: 5-[(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]valeric acid Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H30ClN3O4S/c1-28-12-10-16-6-7-18(14-17(16)11-13-28)29-15-20(27-24(32)21-8-9-22(26)34-21)19(25(29)33)4-2-3-5-23(30)31/h6-9,14,19-20H,2-5,10-13,15H2,1H3,(H,27,32)(H,30,31)/t19-,20+/m1/s1