(2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]valerate Formula: C16H22NO3S- MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC=C2C(=O)N[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3S/c1-9(2)6-13(16(19)20)17-15(18)12-8-21-14-7-10(3)4-5-11(12)14/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)/p-1/t10-,13+/m1/s1