N1-[(2S,3R)-3-oxidanyl-1-phenyl-4-(prop-2-ynylamino)butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-1-phenyl-4-(prop-2-ynylamino)butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(prop-2-ynylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-1-phenyl-4-(prop-2-ynylamino)butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(prop-2-ynylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(propargylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC#C)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC#C)O

InChI

InChI=1S/C27H35N3O3/c1-4-15-28-20-25(31)24(18-21-11-8-7-9-12-21)29-26(32)22-13-10-14-23(19-22)27(33)30(16-5-2)17-6-3/h1,7-14,19,24-25,28,31H,5-6,15-18,20H2,2-3H3,(H,29,32)/t24-,25+/m0/s1