N-[(4S,5S,7R)-2-methyl-5-oxidanyl-7-[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]dec-9-en-4-yl]-3-[methyl-(phenylmethyl)sulfonyl-amino]benzamide

Systemtic Name: N-[(4S,5S,7R)-2-methyl-5-oxidanyl-7-[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]dec-9-en-4-yl]-3-[methyl-(phenylmethyl)sulfonyl-amino]benzamide Openeye Name: N-[(1S,2S,4R)-4-[[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-1-isobutyl-hept-6-enyl]-3-[benzylsulfonyl(methyl)amino]benzamide CAS Name: N-[(4S,5S,7R)-5-hydroxy-2-methyl-7-[oxo-[[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]dec-9-en-4-yl]-3-[methyl-(phenylmethyl)sulfonylamino]benzamide IUPAC Name: N-[(4S,5S,7R)-7-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]-5-hydroxy-2-methyldec-9-en-4-yl]-3-[benzylsulfonyl(methyl)amino]benzamide Traditional Name: N-[(1S,2S,4R)-4-[[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]carbamoyl]-2-hydroxy-1-isobutyl-hept-6-enyl]-3-[benzylsulfonyl(methyl)amino]benzamide Formula: C37H48N4O6S MolecularWeight: 676.86522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(CC=C)C(=O)NC(C)C(=O)NCC1=CC=CC=C1)O)NC(=O)C2=CC(=CC=C2)N(C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC=C)C[C@@H]([C@H](CC(C)C)NC(=O)C2=CC(=CC=C2)N(C)S(=O)(=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C37H48N4O6S/c1-6-14-30(36(44)39-27(4)35(43)38-24-28-15-9-7-10-16-28)23-34(42)33(21-26(2)3)40-37(45)31-19-13-20-32(22-31)41(5)48(46,47)25-29-17-11-8-12-18-29/h6-13,15-20,22,26-27,30,33-34,42H,1,14,21,23-25H2,2-5H3,(H,38,43)(H,39,44)(H,40,45)/t27-,30+,33-,34-/m0/s1