[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H25N3O4S/c1-11(25-17(23)15(8-9-26-2)21-18(19)24)16(22)20-14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,20,22)(H3,19,21,24)/t11-,15+/m1/s1