2-[[2-[[2-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[2-[(2-amino-5-guanidino-pentanoyl)amino]propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[2-[(2-amino-5-guanidino-pentanoyl)amino]propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C27H42N8O8 MolecularWeight: 606.67118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C27H42N8O8/c1-14(2)21(26(42)43)35-25(41)18(12-16-8-5-4-6-9-16)34-24(40)19(13-20(36)37)33-22(38)15(3)32-23(39)17(28)10-7-11-31-27(29)30/h4-6,8-9,14-15,17-19,21H,7,10-13,28H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,37)(H,42,43)(H4,29,30,31)