ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-phenylsulfanyl-ethanoate Openeye Name: ethyl 2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-phenylsulfanyl-acetate CAS Name: 2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-phenylsulfanylacetate Traditional Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(phenylthio)acetic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O5S/c1-7-27-19(25)18(29-15-11-9-8-10-12-15)23-17(24)16(13-14(2)3)22-20(26)28-21(4,5)6/h8-12,14,16,18H,7,13H2,1-6H3,(H,22,26)(H,23,24)/t16-,18?/m0/s1