butyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: butyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: butyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid butyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

CCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C23H33N3O4/c1-5-6-11-30-23(29)21(12-15(2)3)26-22(28)20(25-16(4)27)13-17-14-24-19-10-8-7-9-18(17)19/h7-10,14-15,20-21,24H,5-6,11-13H2,1-4H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1