1-[2-[2-(2-azanylhexanoylamino)ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[2-(2-azanylhexanoylamino)ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[[2-(2-aminohexanoylamino)acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[[2-[(2-amino-1-oxohexyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[[2-(2-aminohexanoylamino)acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-[[2-(2-aminohexanoylamino)acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N)N

Isomeric SMILES

CCCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N)N

InChI

InChI=1S/C22H33N5O4/c1-2-3-10-16(23)21(30)25-14-19(28)26-17(13-15-8-5-4-6-9-15)22(31)27-12-7-11-18(27)20(24)29/h4-6,8-9,16-18H,2-3,7,10-14,23H2,1H3,(H2,24,29)(H,25,30)(H,26,28)