N-[4-[[(2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoyl]amino]phenyl]-4-methoxy-benzamide

Systemtic Name: N-[4-[[(2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanoyl]amino]phenyl]-4-methoxy-benzamide Openeye Name: N-[4-[[(2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxy-pentanoyl]amino]phenyl]-4-methoxy-benzamide CAS Name: N-[4-[[(2S,3R)-3-amino-5-(ethylthio)-2-hydroxy-1-oxopentyl]amino]phenyl]-4-methoxybenzamide IUPAC Name: N-[4-[[(2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxypentanoyl]amino]phenyl]-4-methoxybenzamide Traditional Name: N-[4-[[(2S,3R)-3-amino-5-(ethylthio)-2-hydroxy-pentanoyl]amino]phenyl]-4-methoxy-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)O)N

Isomeric SMILES

CCSCC[C@H]([C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)O)N

InChI

InChI=1S/C21H27N3O4S/c1-3-29-13-12-18(22)19(25)21(27)24-16-8-6-15(7-9-16)23-20(26)14-4-10-17(28-2)11-5-14/h4-11,18-19,25H,3,12-13,22H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1