2,5,9-tris(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-(3-azanylpropyl)-4-oxidanylidene-nonanoic acid

Systemtic Name: 2,5,9-tris(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-(3-azanylpropyl)-4-oxidanylidene-nonanoic acid Openeye Name: 2,5,9-triamino-2-(2-amino-3-phenyl-propanoyl)-3-(3-aminopropyl)-4-oxo-nonanoic acid CAS Name: 2,5,9-triamino-2-(2-amino-1-oxo-3-phenylpropyl)-3-(3-aminopropyl)-4-oxononanoic acid IUPAC Name: 2,5,9-triamino-2-(2-amino-3-phenylpropanoyl)-3-(3-aminopropyl)-4-oxononanoic acid Traditional Name: 2,5,9-triamino-3-(3-aminopropyl)-4-keto-2-phenylalanyl-pelargonic acid Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(C(CCCN)C(=O)C(CCCCN)N)(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(C(CCCN)C(=O)C(CCCCN)N)(C(=O)O)N)N

InChI

InChI=1S/C21H35N5O4/c22-11-5-4-10-16(24)18(27)15(9-6-12-23)21(26,20(29)30)19(28)17(25)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-26H2,(H,29,30)