N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentane-1-carboxamide

Systemtic Name: N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentane-1-carboxamide Openeye Name: N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentanecarboxamide CAS Name: 1-[[(2S)-2-mercapto-3-methyl-1-oxobutyl]amino]-N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]-1-cyclopentanecarboxamide IUPAC Name: N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]-1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentane-1-carboxamide Traditional Name: 1-[[(2S)-2-mercapto-3-methyl-butanoyl]amino]-N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopentanecarboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=C(C=C2)CCCNC(=O)C3(CCCC3)NC(=O)C(C(C)C)S

Isomeric SMILES

CC1=NC2=C(O1)C=C(C=C2)CCCNC(=O)C3(CCCC3)NC(=O)[C@H](C(C)C)S

InChI

InChI=1S/C22H31N3O3S/c1-14(2)19(29)20(26)25-22(10-4-5-11-22)21(27)23-12-6-7-16-8-9-17-18(13-16)28-15(3)24-17/h8-9,13-14,19,29H,4-7,10-12H2,1-3H3,(H,23,27)(H,25,26)/t19-/m0/s1