2-[[2-[[1-[2-[[6-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[1-[2-[[6-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[1-[2-[[6-amino-2-[(2-amino-4-methyl-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[[1-[2-[[6-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[1-[2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[1-[2-[[6-amino-2-[(2-amino-4-methyl-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butyric acid Formula: C32H60N10O8 MolecularWeight: 712.881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)N

InChI

InChI=1S/C32H60N10O8/c1-17(2)16-20(34)26(44)38-21(10-6-7-13-33)28(46)41-25(19(5)43)30(48)42-15-9-12-23(42)29(47)39-22(11-8-14-37-32(35)36)27(45)40-24(18(3)4)31(49)50/h17-25,43H,6-16,33-34H2,1-5H3,(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,49,50)(H4,35,36,37)