(2S)-2-[[(2S)-1-(4-iodophenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(4-iodophenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(4-iodobenzoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(4-iodophenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-iodobenzoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(4-iodobenzoyl)prolyl]amino]-4-methyl-valeric acid Formula: C18H23IN2O4 MolecularWeight: 458.29069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H23IN2O4/c1-11(2)10-14(18(24)25)20-16(22)15-4-3-9-21(15)17(23)12-5-7-13(19)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,20,22)(H,24,25)/t14-,15-/m0/s1