(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfonyl-N,N-dipentyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfonyl-N,N-dipentyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfonyl-N,N-dipentyl-butanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylsulfonyl-N,N-dipentylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfonyl-N,N-dipentylbutanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N,N-diamyl-4-mesyl-butyramide Formula: C26H43N3O6S MolecularWeight: 525.70112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCS(=O)(=O)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

Isomeric SMILES

CCCCCN(CCCCC)C(=O)[C@H](CCS(=O)(=O)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C26H43N3O6S/c1-5-7-9-16-29(17-10-8-6-2)26(33)23(15-18-36(4,34)35)28-25(32)24(27-20(3)30)19-21-11-13-22(31)14-12-21/h11-14,23-24,31H,5-10,15-19H2,1-4H3,(H,27,30)(H,28,32)/t23-,24-/m0/s1