(2S)-3-methyl-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl-propyl-carbamoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl-propyl-carbamoyl]amino]butanoic acid Openeye Name: (2S)-2-[[2-(2-isopropylthiazol-4-yl)ethyl-propyl-carbamoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[2-(2-propan-2-yl-4-thiazolyl)ethyl-propylamino]methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl-propylcarbamoyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(2-isopropylthiazol-4-yl)ethyl-propyl-carbamoyl]amino]-3-methyl-butyric acid Formula: C17H29N3O3S MolecularWeight: 355.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CSC(=N1)C(C)C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCN(CCC1=CSC(=N1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C17H29N3O3S/c1-6-8-20(17(23)19-14(11(2)3)16(21)22)9-7-13-10-24-15(18-13)12(4)5/h10-12,14H,6-9H2,1-5H3,(H,19,23)(H,21,22)/t14-/m0/s1