N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)propanamide

Systemtic Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)propanamide Openeye Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]propanamide IUPAC Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidinoacetyl)amino]propionamide Formula: C30H41N5O5S2 MolecularWeight: 615.80704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)CN2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)CN2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C30H41N5O5S2/c1-21(2)17-35(42(39,40)24-11-12-25-28(16-24)41-20-31-25)18-27(36)26(15-23-9-5-4-6-10-23)33-30(38)22(3)32-29(37)19-34-13-7-8-14-34/h4-6,9-12,16,20-22,26-27,36H,7-8,13-15,17-19H2,1-3H3,(H,32,37)(H,33,38)