2-[2-[[2-[[2-[[2-[[2-[2-[2-[[2-(2-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propanoic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[[2-[2-[2-[[2-(2-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propanoic acid Openeye Name: 2-[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-(2-aminopropanoylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]propanoic acid Traditional Name: 2-[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-(alanylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]propionic acid Formula: C38H69N13O12 MolecularWeight: 900.03436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H69N13O12/c1-16(2)26(34(59)45-21(9)30(55)46-22(10)37(62)63)50-36(61)28(18(5)6)51-35(60)27(17(3)4)49-33(58)24(15-52)48-31(56)20(8)44-25(53)14-43-32(57)23(47-29(54)19(7)39)12-11-13-42-38(40)41/h16-24,26-28,52H,11-15,39H2,1-10H3,(H,43,57)(H,44,53)(H,45,59)(H,46,55)(H,47,54)(H,48,56)(H,49,58)(H,50,61)(H,51,60)(H,62,63)(H4,40,41,42)