methyl 2-[[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetate CAS Name: 2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetate Traditional Name: 2-[[2-[[2-(glycylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]acetic acid methyl ester Formula: C16H30N4O5S MolecularWeight: 390.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)OC)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)OC)NC(=O)CN

InChI

InChI=1S/C16H30N4O5S/c1-10(2)7-12(19-13(21)8-17)16(24)20-11(5-6-26-4)15(23)18-9-14(22)25-3/h10-12H,5-9,17H2,1-4H3,(H,18,23)(H,19,21)(H,20,24)