2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-guanidino-valeric acid Formula: C25H45N11O10S MolecularWeight: 691.7575

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N

Isomeric SMILES

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N

InChI

InChI=1S/C25H45N11O10S/c1-47-8-6-14(22(43)36-15(24(45)46)3-2-7-31-25(29)30)35-21(42)13(4-5-17(27)38)34-23(44)16(11-37)33-19(40)10-32-20(41)12(26)9-18(28)39/h12-16,37H,2-11,26H2,1H3,(H2,27,38)(H2,28,39)(H,32,41)(H,33,40)(H,34,44)(H,35,42)(H,36,43)(H,45,46)(H4,29,30,31)