butyl (4S)-4-acetamido-5-[[(2S)-1-butoxy-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: butyl (4S)-4-acetamido-5-[[(2S)-1-butoxy-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: butyl (4S)-4-acetamido-5-[[(1S)-2-butoxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-acetamido-5-[[(2S)-1-butoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid butyl ester IUPAC Name: butyl (4S)-4-acetamido-5-[[(2S)-1-butoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (4S)-4-acetamido-5-[[(1S)-2-butoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid butyl ester Formula: C26H37N3O6 MolecularWeight: 487.58848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O6/c1-4-6-14-34-24(31)13-12-22(28-18(3)30)25(32)29-23(26(33)35-15-7-5-2)16-19-17-27-21-11-9-8-10-20(19)21/h8-11,17,22-23,27H,4-7,12-16H2,1-3H3,(H,28,30)(H,29,32)/t22-,23-/m0/s1