propan-2-yl 4-[2-[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxyethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2S)-4-methylsulfanyl-2-ureido-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-4-(methylthio)-2-ureido-butanoyl]oxyacetyl]amino]benzoic acid isopropyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H25N3O6S/c1-11(2)27-16(23)12-4-6-13(7-5-12)20-15(22)10-26-17(24)14(8-9-28-3)21-18(19)25/h4-7,11,14H,8-10H2,1-3H3,(H,20,22)(H3,19,21,25)/t14-/m0/s1