1-[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]-N-ethyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]-N-ethyl-1-[(E)-3-phenylacryloyl]pyrrolidin-1-ium-2-carboxamide Formula: C31H41N4O4+ MolecularWeight: 533.68164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2C(=O)NCC)C(=O)C=CC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2C(=O)NCC)C(=O)/C=C/C3=CC=CC=C3)N

InChI

InChI=1S/C31H40N4O4/c1-4-22(3)28(32)30(38)34-25(21-24-15-10-7-11-16-24)31(39)35(20-12-17-26(35)29(37)33-5-2)27(36)19-18-23-13-8-6-9-14-23/h6-11,13-16,18-19,22,25-26,28H,4-5,12,17,20-21,32H2,1-3H3,(H-,33,34,37,38)/p+1/b19-18+