methyl 2-[[6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: methyl 2-[[6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: methyl 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoate CAS Name: 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-(methylthio)butanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-valeric acid methyl ester Formula: C26H51N9O6S MolecularWeight: 617.80484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51N9O6S/c1-16(2)14-17(28)22(37)34-19(10-13-42-4)23(38)32-15-21(36)33-18(8-5-6-11-27)24(39)35-20(25(40)41-3)9-7-12-31-26(29)30/h16-20H,5-15,27-28H2,1-4H3,(H,32,38)(H,33,36)(H,34,37)(H,35,39)(H4,29,30,31)