2,5-bis(azanyl)-3-(3-azanyl-2-oxidanylidene-propyl)-2-(2-azanyl-3-phenyl-propanoyl)-3,6-dimethyl-4-oxidanylidene-heptanoic acid

Systemtic Name: 2,5-bis(azanyl)-3-(3-azanyl-2-oxidanylidene-propyl)-2-(2-azanyl-3-phenyl-propanoyl)-3,6-dimethyl-4-oxidanylidene-heptanoic acid Openeye Name: 2,5-diamino-3-(3-amino-2-oxo-propyl)-2-(2-amino-3-phenyl-propanoyl)-3,6-dimethyl-4-oxo-heptanoic acid CAS Name: 2,5-diamino-2-(2-amino-1-oxo-3-phenylpropyl)-3-(3-amino-2-oxopropyl)-3,6-dimethyl-4-oxoheptanoic acid IUPAC Name: 2,5-diamino-3-(3-amino-2-oxopropyl)-2-(2-amino-3-phenylpropanoyl)-3,6-dimethyl-4-oxoheptanoic acid Traditional Name: 2,5-diamino-3-(3-amino-2-keto-propyl)-4-keto-3,6-dimethyl-2-phenylalanyl-enanthic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C)(CC(=O)CN)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C(C)(CC(=O)CN)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

InChI

InChI=1S/C21H32N4O5/c1-12(2)16(24)18(28)20(3,10-14(26)11-22)21(25,19(29)30)17(27)15(23)9-13-7-5-4-6-8-13/h4-8,12,15-16H,9-11,22-25H2,1-3H3,(H,29,30)