(2S)-2-[[(2S)-1-(5-azanyl-2-oxidanyl-phenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(5-azanyl-2-oxidanyl-phenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(5-amino-2-hydroxy-benzoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(5-amino-2-hydroxyphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(5-amino-2-hydroxybenzoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(5-amino-2-hydroxy-benzoyl)prolyl]amino]-4-methyl-valeric acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-10(2)8-13(18(25)26)20-16(23)14-4-3-7-21(14)17(24)12-9-11(19)5-6-15(12)22/h5-6,9-10,13-14,22H,3-4,7-8,19H2,1-2H3,(H,20,23)(H,25,26)/t13-,14-/m0/s1