methyl (2S)-2-[[(2S)-1-(2-acetyloxy-5-azanyl-phenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-(2-acetyloxy-5-azanyl-phenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-1-(2-acetoxy-5-amino-benzoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2S)-1-[(2-acetyloxy-5-aminophenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-(2-acetyloxy-5-aminobenzoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-1-(2-acetoxy-5-amino-benzoyl)prolyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-12(2)10-16(21(28)29-4)23-19(26)17-6-5-9-24(17)20(27)15-11-14(22)7-8-18(15)30-13(3)25/h7-8,11-12,16-17H,5-6,9-10,22H2,1-4H3,(H,23,26)/t16-,17-/m0/s1