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

Systemtic Name: 2-[2-[[2-[2-[[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]propanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[2-[[2-[[2-[[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]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-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[2-[[2-[[2-[[2-[2-[2-(alanylamino)propanoylamino]propanoylamino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-valeric acid Formula: C32H59N11O9 MolecularWeight: 741.87916

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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)NC(=O)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)NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C32H59N11O9/c1-15(2)12-22(43-28(48)19(7)39-26(46)18(6)38-25(45)17(5)33)29(49)37-14-24(44)41-23(13-16(3)4)30(50)40-20(8)27(47)42-21(31(51)52)10-9-11-36-32(34)35/h15-23H,9-14,33H2,1-8H3,(H,37,49)(H,38,45)(H,39,46)(H,40,50)(H,41,44)(H,42,47)(H,43,48)(H,51,52)(H4,34,35,36)