1-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-N-[1-(2-methanoyl-2-piperazin-2-yl-pyrrolidin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-N-[1-(2-methanoyl-2-piperazin-2-yl-pyrrolidin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-N-[1-benzyl-2-(2-formyl-2-piperazin-2-yl-pyrrolidin-1-yl)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxopentyl]-N-[1-[2-formyl-2-(2-piperazinyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]-N-[1-(2-formyl-2-piperazin-2-ylpyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-benzyl-2-(2-formyl-2-piperazin-2-yl-pyrrolidino)-2-keto-ethyl]-1-[3-methyl-2-(phenylalanylamino)pentanoyl]pyrrolidine-2-carboxamide Formula: C38H53N7O5 MolecularWeight: 687.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3(C=O)C4CNCCN4)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3(C=O)C4CNCCN4)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C38H53N7O5/c1-3-26(2)33(43-34(47)29(39)22-27-12-6-4-7-13-27)37(50)44-20-10-16-31(44)35(48)42-30(23-28-14-8-5-9-15-28)36(49)45-21-11-17-38(45,25-46)32-24-40-18-19-41-32/h4-9,12-15,25-26,29-33,40-41H,3,10-11,16-24,39H2,1-2H3,(H,42,48)(H,43,47)