butyl (2S)-2-[2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: butyl (2S)-2-[2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: butyl (2S)-2-[[2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propionic acid butyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C

InChI

InChI=1S/C23H35N3O5/c1-5-6-12-31-23(30)20(14-18-10-8-7-9-11-18)26-21(28)15-24-22(29)19(13-16(2)3)25-17(4)27/h7-11,16,19-20H,5-6,12-15H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t19-,20-/m0/s1