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

Systemtic Name: 2-[[6-azanyl-2-[[2-[[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[1-(2-amino-5-guanidino-pentanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-[[[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[1-(2-amino-5-guanidino-pentanoyl)prolyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C27H51N9O6 MolecularWeight: 597.75054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C27H51N9O6/c1-15(2)20(24(39)33-18(10-5-6-12-28)22(37)35-21(16(3)4)26(41)42)34-23(38)19-11-8-14-36(19)25(40)17(29)9-7-13-32-27(30)31/h15-21H,5-14,28-29H2,1-4H3,(H,33,39)(H,34,38)(H,35,37)(H,41,42)(H4,30,31,32)