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

Systemtic Name: 2-[5-[bis(azanyl)methylideneamino]pentanoyl-[2-[2-(methylamino)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[5-guanidinopentanoyl-[4-hydroxy-2-[[2-(methylamino)acetyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[5-(diaminomethylideneamino)-1-oxopentyl]-[4-hydroxy-2-[[2-(methylamino)-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[5-(diaminomethylideneamino)pentanoyl-[4-hydroxy-2-[[2-(methylamino)acetyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[5-guanidinopentanoyl-[4-hydroxy-4-keto-2-(sarcosylamino)butanoyl]amino]-3-methyl-butyric acid Formula: C18H32N6O7 MolecularWeight: 444.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCN=C(N)N)C(=O)C(CC(=O)O)NC(=O)CNC

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCN=C(N)N)C(=O)C(CC(=O)O)NC(=O)CNC

InChI

InChI=1S/C18H32N6O7/c1-10(2)15(17(30)31)24(13(26)6-4-5-7-22-18(19)20)16(29)11(8-14(27)28)23-12(25)9-21-3/h10-11,15,21H,4-9H2,1-3H3,(H,23,25)(H,27,28)(H,30,31)(H4,19,20,22)