3-(ethylamino)-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-(thiophen-3-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 3-(ethylamino)-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-(thiophen-3-ylmethylamino)butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-thienylmethylamino)propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 3-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(3-thiophenylmethylamino)butan-2-yl]-5-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 3-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(thiophen-3-ylmethylamino)butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-thenylamino)propyl]-3-(ethylamino)-5-(2-ketopyrrolidino)benzamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CSC=C4)O

Isomeric SMILES

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC4=CSC=C4)O

InChI

InChI=1S/C28H34N4O3S/c1-2-30-23-14-22(15-24(16-23)32-11-6-9-27(32)34)28(35)31-25(13-20-7-4-3-5-8-20)26(33)18-29-17-21-10-12-36-19-21/h3-5,7-8,10,12,14-16,19,25-26,29-30,33H,2,6,9,11,13,17-18H2,1H3,(H,31,35)/t25-,26+/m0/s1