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

Systemtic Name: methyl (2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-phenyl-pentanoate Openeye Name: methyl (2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-pentanoate CAS Name: (2S,4R)-4-[[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]pentyl]-4-thiazolyl]-oxomethyl]amino]-2-methyl-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate Traditional Name: (2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpipecoloyl]amino]pentanoyl]amino]pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-valeric acid methyl ester Formula: C36H55N5O6S MolecularWeight: 685.9168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)O)C(C)C)NC(=O)C3CCCCN3C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)OC)O)C(C)C)NC(=O)[C@H]3CCCCN3C

InChI

InChI=1S/C36H55N5O6S/c1-8-23(4)31(40-33(44)29-16-12-13-17-41(29)6)34(45)38-27(22(2)3)20-30(42)35-39-28(21-48-35)32(43)37-26(18-24(5)36(46)47-7)19-25-14-10-9-11-15-25/h9-11,14-15,21-24,26-27,29-31,42H,8,12-13,16-20H2,1-7H3,(H,37,43)(H,38,45)(H,40,44)/t23-,24-,26+,27+,29+,30+,31-/m0/s1