6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-phenyl-propanoyl]amino]hexanoic acid Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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