2-[[2-[2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]pentanoic acid IUPAC Name: 2-[[2-[2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[2-[[2-[[2-[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-5-guanidino-valeric acid Formula: C35H64N12O12 MolecularWeight: 844.95586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64N12O12/c1-16(2)25(47-29(53)20(37)10-7-8-12-36)32(56)42-19(6)28(52)46-26(17(3)4)33(57)45-23(15-48)31(55)41-18(5)27(51)44-22(14-24(49)50)30(54)43-21(34(58)59)11-9-13-40-35(38)39/h16-23,25-26,48H,7-15,36-37H2,1-6H3,(H,41,55)(H,42,56)(H,43,54)(H,44,51)(H,45,57)(H,46,52)(H,47,53)(H,49,50)(H,58,59)(H4,38,39,40)