(2S,3S)-N-[(2S)-1-azanyl-5-(3-methylbut-2-enoylamino)-1-oxidanylidene-pentan-2-yl]-1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2S)-1-azanyl-5-(3-methylbut-2-enoylamino)-1-oxidanylidene-pentan-2-yl]-1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-(3-methylbut-2-enoylamino)butyl]-1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2S)-1-amino-5-[(3-methyl-1-oxobut-2-enyl)amino]-1-oxopentan-2-yl]-1-(3-methyl-1-oxobut-2-enyl)-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2S)-1-amino-5-(3-methylbut-2-enoylamino)-1-oxopentan-2-yl]-1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-(3-methylbut-2-enoylamino)butyl]-1-(3-methylbut-2-enoyl)-3-[[3-(methylthio)phenyl]carbamoylamino]pyrrolidine-2-carboxamide Formula: C28H40N6O5S MolecularWeight: 572.7194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCCC(C(=O)N)NC(=O)C1C(CCN1C(=O)C=C(C)C)NC(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CC(=CC(=O)NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1[C@H](CCN1C(=O)C=C(C)C)NC(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C28H40N6O5S/c1-17(2)14-23(35)30-12-7-10-22(26(29)37)32-27(38)25-21(11-13-34(25)24(36)15-18(3)4)33-28(39)31-19-8-6-9-20(16-19)40-5/h6,8-9,14-16,21-22,25H,7,10-13H2,1-5H3,(H2,29,37)(H,30,35)(H,32,38)(H2,31,33,39)/t21-,22-,25-/m0/s1