[1-[3-azanylpropyl-[4-(3-azanylpropylamino)butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid

Systemtic Name: [1-[3-azanylpropyl-[4-(3-azanylpropylamino)butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [2-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-1-benzyl-2-oxo-ethyl]carbamic acid CAS Name: [1-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid Traditional Name: [2-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid Formula: C20H35N5O3 MolecularWeight: 393.5236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(CCCCNCCCN)CCCN)NC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(CCCCNCCCN)CCCN)NC(=O)O

InChI

InChI=1S/C20H35N5O3/c21-10-6-13-23-12-4-5-14-25(15-7-11-22)19(26)18(24-20(27)28)16-17-8-2-1-3-9-17/h1-3,8-9,18,23-24H,4-7,10-16,21-22H2,(H,27,28)