(2S)-4-methyl-2-[[(2S,5S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(2-methylpropyl)-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S,5S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(2-methylpropyl)-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,5S)-2-benzyl-5-isobutyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-oxo-piperazine-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[[(2S,5S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(2-methylpropyl)-3-oxo-2-(phenylmethyl)-1-piperazinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(2S,5S)-2-benzyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,5S)-2-benzyl-5-isobutyl-3-keto-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine-1-carbonyl]amino]-4-methyl-valeric acid Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN2C(CN(C(C2=O)CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)O)CC(C)C

Isomeric SMILES

CC1=C(N=CN1)CN2[C@H](CN([C@H](C2=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)O)CC(C)C

InChI

InChI=1S/C27H39N5O4/c1-17(2)11-21-14-32(27(36)30-22(26(34)35)12-18(3)4)24(13-20-9-7-6-8-10-20)25(33)31(21)15-23-19(5)28-16-29-23/h6-10,16-18,21-22,24H,11-15H2,1-5H3,(H,28,29)(H,30,36)(H,34,35)/t21-,22-,24-/m0/s1