2,5-bis(azanyl)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(3-azanylpropyl)-7-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(3-azanylpropyl)-7-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(3-aminopropyl)-7-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-(3-aminopropyl)-7-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(3-aminopropyl)-7-methyl-4-oxooctanoic acid Traditional Name: 2,5-diamino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(3-aminopropyl)-4-keto-7-methyl-caprylic acid Formula: C18H32N6O4 MolecularWeight: 396.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CCCN)C(C(=O)C(CC1=CN=CN1)N)(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C(CCCN)C(C(=O)C(CC1=CN=CN1)N)(C(=O)O)N)N

InChI

InChI=1S/C18H32N6O4/c1-10(2)6-13(20)15(25)12(4-3-5-19)18(22,17(27)28)16(26)14(21)7-11-8-23-9-24-11/h8-10,12-14H,3-7,19-22H2,1-2H3,(H,23,24)(H,27,28)