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

Systemtic Name: (2S,4R)-4-[[2-[(1R,3R)-3-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]-(3-methylbutanoyloxymethyl)amino]-1-acetyloxy-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoic acid Openeye Name: (2S,4R)-4-[[2-[(1R,3R)-3-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]-(3-methylbutanoyloxymethyl)amino]-1-acetoxy-4-methyl-pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-pentanoic acid CAS Name: (2S,4R)-4-[[[2-[(1R,3R)-3-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]-[(3-methyl-1-oxobutoxy)methyl]amino]-1-acetyloxy-4-methylpentyl]-4-thiazolyl]-oxomethyl]amino]-2-methyl-5-phenylpentanoic acid IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-3-[[(2S,3S)-2-acetamido-3-methylpentanoyl]-(3-methylbutanoyloxymethyl)amino]-1-acetyloxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid Traditional Name: (2S,4R)-4-[[2-[(1R,3R)-3-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]-(isovaleryloxymethyl)amino]-1-acetoxy-4-methyl-pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-valeric acid Formula: C38H56N4O9S MolecularWeight: 744.93764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(COC(=O)CC(C)C)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)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[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

InChI

InChI=1S/C38H56N4O9S/c1-10-24(6)34(39-26(8)43)37(47)42(21-50-33(45)16-22(2)3)31(23(4)5)19-32(51-27(9)44)36-41-30(20-52-36)35(46)40-29(17-25(7)38(48)49)18-28-14-12-11-13-15-28/h11-15,20,22-25,29,31-32,34H,10,16-19,21H2,1-9H3,(H,39,43)(H,40,46)(H,48,49)/t24-,25-,29+,31+,32+,34-/m0/s1