[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-[[(1S)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C20H25N3O4S/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)22-18(24)12-27-19(25)17(10-11-28-2)23-20(21)26/h3-9,13,17H,10-12H2,1-2H3,(H,22,24)(H3,21,23,26)/t13-,17-/m0/s1