2-[2-[2-[[2-[[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[[2-[[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-(glycylamino)acetyl]amino]-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-(methylthio)butanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Formula: C26H47N11O9S2 MolecularWeight: 721.84968

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)NCC(=O)NCC(=O)NCC(=O)O)NC(=O)CNC(=O)CN

Isomeric SMILES

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)NCC(=O)NCC(=O)NCC(=O)O)NC(=O)CNC(=O)CN

InChI

InChI=1S/C26H47N11O9S2/c1-47-8-5-16(23(44)34-12-20(40)32-11-19(39)33-14-22(42)43)37-24(45)15(4-3-7-30-26(28)29)36-25(46)17(6-9-48-2)35-21(41)13-31-18(38)10-27/h15-17H,3-14,27H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)(H,34,44)(H,35,41)(H,36,46)(H,37,45)(H,42,43)(H4,28,29,30)