(4R)-4-[[5-morpholin-4-ylsulfonyl-2-(propylamino)phenyl]amino]pentanoic acid

Systemtic Name: (4R)-4-[[5-morpholin-4-ylsulfonyl-2-(propylamino)phenyl]amino]pentanoic acid Openeye Name: (4R)-4-[5-morpholinosulfonyl-2-(propylamino)anilino]pentanoic acid CAS Name: (4R)-4-[5-(4-morpholinylsulfonyl)-2-(propylamino)anilino]pentanoic acid IUPAC Name: (4R)-4-[5-morpholin-4-ylsulfonyl-2-(propylamino)anilino]pentanoic acid Traditional Name: (4R)-4-[5-morpholinosulfonyl-2-(propylamino)anilino]valeric acid Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(C)CCC(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N[C@H](C)CCC(=O)O

InChI

InChI=1S/C18H29N3O5S/c1-3-8-19-16-6-5-15(27(24,25)21-9-11-26-12-10-21)13-17(16)20-14(2)4-7-18(22)23/h5-6,13-14,19-20H,3-4,7-12H2,1-2H3,(H,22,23)/t14-/m1/s1