methyl (2S)-2-[[(2S)-2-[[(2E)-2-hydroxyiminopentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2E)-2-hydroxyiminopentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2E)-2-hydroxyiminopentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2E)-2-hydroxyimino-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2E)-2-hydroxyiminopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2E)-2-hydroximinopentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NO)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCC/C(=N\O)/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H31N3O5/c1-5-9-16(24-28)19(25)22-17(12-14(2)3)20(26)23-18(21(27)29-4)13-15-10-7-6-8-11-15/h6-8,10-11,14,17-18,28H,5,9,12-13H2,1-4H3,(H,22,25)(H,23,26)/b24-16+/t17-,18-/m0/s1