3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-formyl-2-methyl-butyl)-(9-guanidinononanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[9-(diaminomethylideneamino)-1-oxononyl]-(3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[9-(diaminomethylideneamino)nonanoyl-(3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-formyl-2-methyl-butyl)-(9-guanidinononanoyl)amino]-4-keto-butyric acid Formula: C20H37N5O5 MolecularWeight: 427.53828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C=O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C20H37N5O5/c1-3-14(2)16(13-26)25(19(30)15(21)12-18(28)29)17(27)10-8-6-4-5-7-9-11-24-20(22)23/h13-16H,3-12,21H2,1-2H3,(H,28,29)(H4,22,23,24)