methyl (2S,4R)-4-[[2-[(1R,3R)-3-azanyl-4-methyl-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoate

Systemtic Name: methyl (2S,4R)-4-[[2-[(1R,3R)-3-azanyl-4-methyl-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoate Openeye Name: methyl (2S,4R)-4-[[2-[(1R,3R)-3-amino-1-hydroxy-4-methyl-pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-pentanoate CAS Name: (2S,4R)-4-[[[2-[(1R,3R)-3-amino-1-hydroxy-4-methylpentyl]-4-thiazolyl]-oxomethyl]amino]-2-methyl-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[[2-[(1R,3R)-3-amino-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate Traditional Name: (2S,4R)-4-[[2-[(1R,3R)-3-amino-1-hydroxy-4-methyl-pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-valeric acid methyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)O)N

Isomeric SMILES

C[C@@H](C[C@H](CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)[C@@H](C[C@H](C(C)C)N)O)C(=O)OC

InChI

InChI=1S/C23H33N3O4S/c1-14(2)18(24)12-20(27)22-26-19(13-31-22)21(28)25-17(10-15(3)23(29)30-4)11-16-8-6-5-7-9-16/h5-9,13-15,17-18,20,27H,10-12,24H2,1-4H3,(H,25,28)/t15-,17+,18+,20+/m0/s1