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

Systemtic Name: 2-[(3S)-3-[[(2S)-4-methyl-2-sulfanyl-pentanoyl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(2S)-4-methyl-2-sulfanyl-pentanoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-2-mercapto-4-methyl-1-oxopentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[[(2S)-2-mercapto-4-methyl-pentanoyl]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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-11(2)9-15(25)17(23)19-13-8-7-12-5-3-4-6-14(12)20(18(13)24)10-16(21)22/h3-6,11,13,15,25H,7-10H2,1-2H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1