N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)pent-4-ynamide

Systemtic Name: N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)pent-4-ynamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(methylsulfonyl)amino]propyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]pent-4-ynamide CAS Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4-pentynamide IUPAC Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]pent-4-ynamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(mesyl)amino]propyl]-2-[(2-pyrrolidinoacetyl)amino]pent-4-ynamide Formula: C26H40N4O5S MolecularWeight: 520.6846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC#C)NC(=O)CN2CCCC2)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC#C)NC(=O)CN2CCCC2)O)S(=O)(=O)C

InChI

InChI=1S/C26H40N4O5S/c1-5-11-22(27-25(32)19-29-14-9-10-15-29)26(33)28-23(16-21-12-7-6-8-13-21)24(31)18-30(17-20(2)3)36(4,34)35/h1,6-8,12-13,20,22-24,31H,9-11,14-19H2,2-4H3,(H,27,32)(H,28,33)