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

Systemtic Name: 2-[[6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoic acid 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 IUPAC Name: 2-[[6-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid 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 Formula: C25H49N9O6S MolecularWeight: 603.77826

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)O)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)O)N

InChI

InChI=1S/C25H49N9O6S/c1-15(2)13-16(27)21(36)33-18(9-12-41-3)22(37)31-14-20(35)32-17(7-4-5-10-26)23(38)34-19(24(39)40)8-6-11-30-25(28)29/h15-19H,4-14,26-27H2,1-3H3,(H,31,37)(H,32,35)(H,33,36)(H,34,38)(H,39,40)(H4,28,29,30)