2-[2-[[2-[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[2-[[2-[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[2-[[2-[[2-[[2-(alanylamino)-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-valeric acid Formula: C26H49N9O7 MolecularWeight: 599.72336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)N

InChI

InChI=1S/C26H49N9O7/c1-13(2)10-18(35-21(37)15(5)27)23(39)31-12-20(36)33-19(11-14(3)4)24(40)32-16(6)22(38)34-17(25(41)42)8-7-9-30-26(28)29/h13-19H,7-12,27H2,1-6H3,(H,31,39)(H,32,40)(H,33,36)(H,34,38)(H,35,37)(H,41,42)(H4,28,29,30)