methyl 6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoate Openeye Name: methyl 6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]hexanoate CAS Name: 6-amino-2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoate Traditional Name: 6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-(methylthio)butanoyl]amino]acetyl]amino]hexanoic acid methyl ester Formula: C20H39N5O5S MolecularWeight: 461.61916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)OC)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)OC)N

InChI

InChI=1S/C20H39N5O5S/c1-13(2)11-14(22)18(27)25-15(8-10-31-4)19(28)23-12-17(26)24-16(20(29)30-3)7-5-6-9-21/h13-16H,5-12,21-22H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)