(2S)-2-acetamido-N-[(2R)-1-(dipentylamino)-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[(2R)-1-(dipentylamino)-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-2-acetamido-N-[(1R)-2-(dipentylamino)-1-(methylsulfanylmethyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-acetamido-N-[(2R)-1-(dipentylamino)-3-(methylthio)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-2-acetamido-N-[(2R)-1-(dipentylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-acetamido-N-[(1R)-2-(diamylamino)-2-keto-1-[(methylthio)methyl]ethyl]-3-(4-hydroxyphenyl)propionamide Formula: C25H41N3O4S MolecularWeight: 479.67574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O4S/c1-5-7-9-15-28(16-10-8-6-2)25(32)23(18-33-4)27-24(31)22(26-19(3)29)17-20-11-13-21(30)14-12-20/h11-14,22-23,30H,5-10,15-18H2,1-4H3,(H,26,29)(H,27,31)/t22-,23-/m0/s1