(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoic acid

Systemtic Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoic acid Openeye Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetoxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-pentanoic acid CAS Name: (2S,4R)-4-[[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]-(1-oxopropoxymethyl)amino]pentyl]-4-thiazolyl]-oxomethyl]amino]-2-methyl-5-phenylpentanoic acid IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid Traditional Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetoxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpipecoloyl]amino]pentanoyl]-(propionyloxymethyl)amino]pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-valeric acid Formula: C41H61N5O9S MolecularWeight: 800.01614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H61N5O9S/c1-9-26(5)36(44-38(50)32-18-14-15-19-45(32)8)40(51)46(24-54-35(48)10-2)33(25(3)4)22-34(55-28(7)47)39-43-31(23-56-39)37(49)42-30(20-27(6)41(52)53)21-29-16-12-11-13-17-29/h11-13,16-17,23,25-27,30,32-34,36H,9-10,14-15,18-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t26-,27-,30+,32+,33+,34+,36-/m0/s1