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

Systemtic Name: (4R)-4-[[2-[(3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]-1,3-thiazol-4-yl]carbonylamino]-5-phenyl-pentanoic acid Openeye Name: (4R)-4-[[2-[(3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]thiazole-4-carbonyl]amino]-5-phenyl-pentanoic acid CAS Name: (4R)-4-[[[2-[(3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]-4-thiazolyl]-oxomethyl]amino]-5-phenylpentanoic acid IUPAC Name: (4R)-4-[[2-[(3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid Traditional Name: (4R)-4-[[2-[(3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylprolyl]amino]pentanoyl]amino]pentanoyl]thiazole-4-carbonyl]amino]-5-phenyl-valeric acid Formula: C33H47N5O6S MolecularWeight: 641.82118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)C1=NC(=CS1)C(=O)NC(CCC(=O)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3CCCN3C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)C1=NC(=CS1)C(=O)N[C@H](CCC(=O)O)CC2=CC=CC=C2)C(C)C)NC(=O)[C@H]3CCCN3C

InChI

InChI=1S/C33H47N5O6S/c1-6-21(4)29(37-31(43)26-13-10-16-38(26)5)32(44)35-24(20(2)3)18-27(39)33-36-25(19-45-33)30(42)34-23(14-15-28(40)41)17-22-11-8-7-9-12-22/h7-9,11-12,19-21,23-24,26,29H,6,10,13-18H2,1-5H3,(H,34,42)(H,35,44)(H,37,43)(H,40,41)/t21-,23+,24+,26+,29-/m0/s1